Spaces:
Running
Running
Concise copy + em-dash removal + calibration on leaderboard
Browse files- website/src/App.tsx +1 -2
- website/src/components/ConditionMatcher.tsx +1 -2
- website/src/data/generated/model_leaderboard.json +618 -134
- website/src/data/mockData.ts +1 -1
- website/src/pages/Benchmarking.tsx +25 -20
- website/src/pages/BioactivityScreening.tsx +11 -13
- website/src/pages/Data.tsx +9 -13
- website/src/pages/DetectabilityPrediction.tsx +5 -7
- website/src/pages/DetectabilityTraining.tsx +7 -8
- website/src/pages/Home.tsx +12 -7
website/src/App.tsx
CHANGED
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@@ -55,8 +55,7 @@ export default function App() {
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<footer className="footer">
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<div className="footer-inner">
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<span>
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-
HydroPD
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hydrolysates
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</span>
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<span>
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<a
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<footer className="footer">
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<div className="footer-inner">
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<span>
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+
HydroPD. MS detectability for non-animal protein hydrolysates.
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</span>
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<span>
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<a
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website/src/components/ConditionMatcher.tsx
CHANGED
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@@ -40,8 +40,7 @@ export default function ConditionMatcher({
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<div className="field-label">
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Match my conditions{' '}
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<span className="field-hint">
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(species β enzyme β protocol).
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</span>
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</div>
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<div className="field-label">
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Match my conditions{' '}
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<span className="field-hint">
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+
How were your peptides made? We rank models by species, then enzyme, then protocol.
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</span>
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</div>
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website/src/data/generated/model_leaderboard.json
CHANGED
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@@ -7,7 +7,9 @@
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"f1",
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"precision",
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"recall",
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"specificity"
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],
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"metricLabels": {
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"auroc": "AUROC",
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@@ -17,11 +19,13 @@
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"f1": "F1",
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"precision": "Precision",
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"recall": "Sensitivity / recall",
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"specificity": "Specificity"
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},
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"nSpecies": 8,
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"nDatasets": 30,
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-
"note": "Aggregated across species from 5-fold protein-grouped CV on the 30 usable datasets.
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"models": [
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{
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"id": "pfly_ft",
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@@ -106,7 +110,7 @@
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"classifier": "xgb",
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"featureSet": "pep_phys",
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"label": "XGBoost \u00b7 PepBERT + physicochemical",
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"description": "Gradient-boosted decision trees
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"nSpecies": 8,
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"nDatasets": 30,
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"agg": {
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@@ -173,6 +177,22 @@
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"minSpecies": "Faba bean (Vicia faba)",
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"maxSpecies": "gracilaria",
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"nSpecies": 8
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}
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},
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"bySpecies": [
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@@ -186,7 +206,9 @@
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"f1": 0.8409,
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"precision": 0.818,
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"recall": 0.8682,
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-
"specificity": 0.7887
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},
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{
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"species": "Spirulina (Arthrospira platensis)",
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@@ -198,7 +220,9 @@
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"f1": 0.8249,
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"precision": 0.8005,
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"recall": 0.8569,
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-
"specificity": 0.7778
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},
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{
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"species": "Potato (Solanum tuberosum)",
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@@ -210,7 +234,9 @@
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"f1": 0.7936,
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"precision": 0.7814,
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"recall": 0.8093,
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-
"specificity": 0.779
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},
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{
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"species": "Soybean (Glycine max)",
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@@ -222,7 +248,9 @@
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"f1": 0.7349,
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"precision": 0.7065,
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"recall": 0.8187,
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-
"specificity": 0.7451
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},
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{
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"species": "wheat",
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@@ -234,7 +262,9 @@
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"f1": 0.7695,
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"precision": 0.7272,
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"recall": 0.8239,
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-
"specificity": 0.6711
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},
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{
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"species": "Red rice bran (Oryza sativa)",
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@@ -246,7 +276,9 @@
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"f1": 0.7278,
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"precision": 0.6995,
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"recall": 0.7826,
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-
"specificity": 0.5952
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},
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{
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"species": "Tetradesmus obliquus (microalga)",
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@@ -258,7 +290,9 @@
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"f1": 0.7062,
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"precision": 0.716,
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"recall": 0.7314,
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-
"specificity": 0.6509
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},
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{
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"species": "Faba bean (Vicia faba)",
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@@ -270,7 +304,9 @@
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"f1": 0.7302,
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"precision": 0.7042,
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"recall": 0.8037,
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-
"specificity": 0.4583
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}
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],
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"partial": false
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@@ -280,7 +316,7 @@
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"classifier": "xgb",
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"featureSet": "esm2_phys",
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"label": "XGBoost \u00b7 ESM2 + physicochemical",
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-
"description": "Gradient-boosted decision trees
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"nSpecies": 8,
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"nDatasets": 30,
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"agg": {
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@@ -347,6 +383,22 @@
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"minSpecies": "Faba bean (Vicia faba)",
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"maxSpecies": "gracilaria",
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"nSpecies": 8
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}
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},
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"bySpecies": [
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@@ -360,7 +412,9 @@
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"f1": 0.8377,
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"precision": 0.8395,
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"recall": 0.8406,
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-
"specificity": 0.8315
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},
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{
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"species": "Spirulina (Arthrospira platensis)",
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@@ -372,7 +426,9 @@
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"f1": 0.8161,
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"precision": 0.8009,
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"recall": 0.8394,
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-
"specificity": 0.7867
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},
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{
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"species": "Potato (Solanum tuberosum)",
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@@ -384,7 +440,9 @@
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"f1": 0.7895,
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"precision": 0.7781,
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"recall": 0.804,
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-
"specificity": 0.7759
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},
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{
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"species": "Soybean (Glycine max)",
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@@ -396,7 +454,9 @@
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"f1": 0.7253,
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"precision": 0.7045,
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"recall": 0.7994,
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-
"specificity": 0.7512
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},
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{
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"species": "wheat",
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@@ -408,7 +468,9 @@
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"f1": 0.7691,
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"precision": 0.7208,
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"recall": 0.8322,
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-
"specificity": 0.6561
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},
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{
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"species": "Faba bean (Vicia faba)",
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@@ -420,7 +482,9 @@
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"f1": 0.7492,
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"precision": 0.7059,
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"recall": 0.8477,
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-
"specificity": 0.4192
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},
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{
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"species": "Tetradesmus obliquus (microalga)",
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@@ -432,7 +496,9 @@
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"f1": 0.6923,
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"precision": 0.703,
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"recall": 0.7307,
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-
"specificity": 0.6084
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},
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{
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"species": "Red rice bran (Oryza sativa)",
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@@ -444,7 +510,9 @@
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"f1": 0.6993,
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"precision": 0.6735,
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"recall": 0.76,
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-
"specificity": 0.5337
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}
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],
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"partial": false
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@@ -454,7 +522,7 @@
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"classifier": "xgb",
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"featureSet": "esm2",
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"label": "XGBoost \u00b7 ESM2",
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-
"description": "Gradient-boosted decision trees
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"nSpecies": 8,
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"nDatasets": 30,
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"agg": {
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@@ -521,6 +589,22 @@
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"minSpecies": "Faba bean (Vicia faba)",
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"maxSpecies": "gracilaria",
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"nSpecies": 8
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}
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},
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"bySpecies": [
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@@ -534,7 +618,9 @@
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"f1": 0.8437,
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"precision": 0.8542,
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"recall": 0.8348,
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-
"specificity": 0.8482
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},
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{
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"species": "Spirulina (Arthrospira platensis)",
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"f1": 0.8062,
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"precision": 0.7921,
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"recall": 0.8305,
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-
"specificity": 0.7758
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},
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{
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"species": "Potato (Solanum tuberosum)",
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@@ -558,7 +646,9 @@
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"f1": 0.7876,
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"precision": 0.7791,
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"recall": 0.7993,
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-
"specificity": 0.779
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},
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{
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"species": "Soybean (Glycine max)",
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@@ -570,7 +660,9 @@
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"f1": 0.7316,
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"precision": 0.7042,
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"recall": 0.8162,
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-
"specificity": 0.7473
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},
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{
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"species": "wheat",
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@@ -582,7 +674,9 @@
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"f1": 0.7676,
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"precision": 0.7208,
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"recall": 0.8298,
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-
"specificity": 0.6573
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},
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{
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"species": "Faba bean (Vicia faba)",
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@@ -594,7 +688,9 @@
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"f1": 0.8437,
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"precision": 0.8045,
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"recall": 0.9401,
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-
"specificity": 0.4138
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},
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{
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"species": "Tetradesmus obliquus (microalga)",
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@@ -606,7 +702,9 @@
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"f1": 0.6943,
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"precision": 0.7133,
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"recall": 0.7203,
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-
"specificity": 0.6343
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},
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{
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"species": "Red rice bran (Oryza sativa)",
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@@ -618,7 +716,9 @@
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"f1": 0.682,
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"precision": 0.6612,
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"recall": 0.7473,
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-
"specificity": 0.5105
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}
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],
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"partial": false
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"classifier": "mlp",
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"featureSet": "esm2_phys",
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"label": "Neural net (MLP) \u00b7 ESM2 + physicochemical",
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-
"description": "A small multilayer-perceptron neural net over the feature vector. ESM2 embeddings
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"nSpecies": 8,
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"nDatasets": 30,
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"agg": {
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@@ -695,6 +795,22 @@
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"minSpecies": "Faba bean (Vicia faba)",
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"maxSpecies": "Spirulina (Arthrospira platensis)",
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"nSpecies": 8
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}
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},
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"bySpecies": [
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@@ -708,7 +824,9 @@
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"f1": 0.8312,
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"precision": 0.8172,
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"recall": 0.8486,
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-
"specificity": 0.7985
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},
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{
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"species": "Spirulina (Arthrospira platensis)",
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@@ -720,7 +838,9 @@
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"f1": 0.8057,
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"precision": 0.8098,
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"recall": 0.8099,
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-
"specificity": 0.8039
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},
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{
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"species": "Soybean (Glycine max)",
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@@ -732,7 +852,9 @@
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"f1": 0.7471,
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"precision": 0.7302,
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"recall": 0.8094,
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-
"specificity": 0.7795
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},
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{
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"species": "Potato (Solanum tuberosum)",
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@@ -744,7 +866,9 @@
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"f1": 0.7797,
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"precision": 0.7812,
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"recall": 0.781,
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-
"specificity": 0.7872
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},
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{
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"species": "wheat",
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@@ -756,7 +880,9 @@
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"f1": 0.7729,
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"precision": 0.7312,
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"recall": 0.8273,
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-
"specificity": 0.6748
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},
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{
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"species": "Faba bean (Vicia faba)",
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@@ -768,7 +894,9 @@
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"f1": 0.7464,
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"precision": 0.7107,
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"recall": 0.8304,
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-
"specificity": 0.462
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},
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{
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"species": "Tetradesmus obliquus (microalga)",
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@@ -780,7 +908,9 @@
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"f1": 0.682,
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"precision": 0.6966,
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"recall": 0.721,
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-
"specificity": 0.6002
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},
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{
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"species": "Red rice bran (Oryza sativa)",
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@@ -792,7 +922,9 @@
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"f1": 0.6743,
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"precision": 0.6503,
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"recall": 0.7413,
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-
"specificity": 0.4788
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}
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],
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"partial": false
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@@ -869,6 +1001,22 @@
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"minSpecies": "Faba bean (Vicia faba)",
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| 870 |
"maxSpecies": "gracilaria",
|
| 871 |
"nSpecies": 8
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| 872 |
}
|
| 873 |
},
|
| 874 |
"bySpecies": [
|
|
@@ -882,7 +1030,9 @@
|
|
| 882 |
"f1": 0.8367,
|
| 883 |
"precision": 0.8287,
|
| 884 |
"recall": 0.8483,
|
| 885 |
-
"specificity": 0.8114
|
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| 886 |
},
|
| 887 |
{
|
| 888 |
"species": "Spirulina (Arthrospira platensis)",
|
|
@@ -894,7 +1044,9 @@
|
|
| 894 |
"f1": 0.8065,
|
| 895 |
"precision": 0.81,
|
| 896 |
"recall": 0.8144,
|
| 897 |
-
"specificity": 0.8011
|
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| 898 |
},
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| 899 |
{
|
| 900 |
"species": "Soybean (Glycine max)",
|
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@@ -906,7 +1058,9 @@
|
|
| 906 |
"f1": 0.7636,
|
| 907 |
"precision": 0.7428,
|
| 908 |
"recall": 0.8383,
|
| 909 |
-
"specificity": 0.7812
|
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| 910 |
},
|
| 911 |
{
|
| 912 |
"species": "Potato (Solanum tuberosum)",
|
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@@ -918,7 +1072,9 @@
|
|
| 918 |
"f1": 0.7786,
|
| 919 |
"precision": 0.7812,
|
| 920 |
"recall": 0.7791,
|
| 921 |
-
"specificity": 0.7874
|
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| 922 |
},
|
| 923 |
{
|
| 924 |
"species": "wheat",
|
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@@ -930,7 +1086,9 @@
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| 930 |
"f1": 0.765,
|
| 931 |
"precision": 0.7259,
|
| 932 |
"recall": 0.8171,
|
| 933 |
-
"specificity": 0.6682
|
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| 934 |
},
|
| 935 |
{
|
| 936 |
"species": "Faba bean (Vicia faba)",
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@@ -942,7 +1100,9 @@
|
|
| 942 |
"f1": 0.7456,
|
| 943 |
"precision": 0.7047,
|
| 944 |
"recall": 0.8359,
|
| 945 |
-
"specificity": 0.4296
|
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| 946 |
},
|
| 947 |
{
|
| 948 |
"species": "Tetradesmus obliquus (microalga)",
|
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@@ -954,7 +1114,9 @@
|
|
| 954 |
"f1": 0.6799,
|
| 955 |
"precision": 0.6978,
|
| 956 |
"recall": 0.6933,
|
| 957 |
-
"specificity": 0.6218
|
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|
| 958 |
},
|
| 959 |
{
|
| 960 |
"species": "Red rice bran (Oryza sativa)",
|
|
@@ -966,7 +1128,9 @@
|
|
| 966 |
"f1": 0.6764,
|
| 967 |
"precision": 0.6675,
|
| 968 |
"recall": 0.7195,
|
| 969 |
-
"specificity": 0.5521
|
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| 970 |
}
|
| 971 |
],
|
| 972 |
"partial": false
|
|
@@ -1043,6 +1207,22 @@
|
|
| 1043 |
"minSpecies": "Faba bean (Vicia faba)",
|
| 1044 |
"maxSpecies": "gracilaria",
|
| 1045 |
"nSpecies": 8
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| 1046 |
}
|
| 1047 |
},
|
| 1048 |
"bySpecies": [
|
|
@@ -1056,7 +1236,9 @@
|
|
| 1056 |
"f1": 0.8505,
|
| 1057 |
"precision": 0.8453,
|
| 1058 |
"recall": 0.8591,
|
| 1059 |
-
"specificity": 0.8321
|
|
|
|
|
|
|
| 1060 |
},
|
| 1061 |
{
|
| 1062 |
"species": "Spirulina (Arthrospira platensis)",
|
|
@@ -1068,7 +1250,9 @@
|
|
| 1068 |
"f1": 0.8189,
|
| 1069 |
"precision": 0.8074,
|
| 1070 |
"recall": 0.8361,
|
| 1071 |
-
"specificity": 0.7977
|
|
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|
| 1072 |
},
|
| 1073 |
{
|
| 1074 |
"species": "Soybean (Glycine max)",
|
|
@@ -1080,7 +1264,9 @@
|
|
| 1080 |
"f1": 0.733,
|
| 1081 |
"precision": 0.7256,
|
| 1082 |
"recall": 0.8035,
|
| 1083 |
-
"specificity": 0.768
|
|
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|
| 1084 |
},
|
| 1085 |
{
|
| 1086 |
"species": "Potato (Solanum tuberosum)",
|
|
@@ -1092,7 +1278,9 @@
|
|
| 1092 |
"f1": 0.7783,
|
| 1093 |
"precision": 0.7763,
|
| 1094 |
"recall": 0.784,
|
| 1095 |
-
"specificity": 0.7798
|
|
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|
| 1096 |
},
|
| 1097 |
{
|
| 1098 |
"species": "wheat",
|
|
@@ -1104,7 +1292,9 @@
|
|
| 1104 |
"f1": 0.7615,
|
| 1105 |
"precision": 0.7341,
|
| 1106 |
"recall": 0.7972,
|
| 1107 |
-
"specificity": 0.6942
|
|
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|
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|
| 1108 |
},
|
| 1109 |
{
|
| 1110 |
"species": "Red rice bran (Oryza sativa)",
|
|
@@ -1116,7 +1306,9 @@
|
|
| 1116 |
"f1": 0.6983,
|
| 1117 |
"precision": 0.6933,
|
| 1118 |
"recall": 0.7455,
|
| 1119 |
-
"specificity": 0.584
|
|
|
|
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|
|
| 1120 |
},
|
| 1121 |
{
|
| 1122 |
"species": "Tetradesmus obliquus (microalga)",
|
|
@@ -1128,7 +1320,9 @@
|
|
| 1128 |
"f1": 0.6748,
|
| 1129 |
"precision": 0.7103,
|
| 1130 |
"recall": 0.6921,
|
| 1131 |
-
"specificity": 0.6543
|
|
|
|
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|
| 1132 |
},
|
| 1133 |
{
|
| 1134 |
"species": "Faba bean (Vicia faba)",
|
|
@@ -1140,7 +1334,9 @@
|
|
| 1140 |
"f1": 0.72,
|
| 1141 |
"precision": 0.7012,
|
| 1142 |
"recall": 0.8006,
|
| 1143 |
-
"specificity": 0.4236
|
|
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|
| 1144 |
}
|
| 1145 |
],
|
| 1146 |
"partial": false
|
|
@@ -1150,7 +1346,7 @@
|
|
| 1150 |
"classifier": "rf",
|
| 1151 |
"featureSet": "pep_phys",
|
| 1152 |
"label": "Random forest \u00b7 PepBERT + physicochemical",
|
| 1153 |
-
"description": "
|
| 1154 |
"nSpecies": 8,
|
| 1155 |
"nDatasets": 30,
|
| 1156 |
"agg": {
|
|
@@ -1217,6 +1413,22 @@
|
|
| 1217 |
"minSpecies": "Faba bean (Vicia faba)",
|
| 1218 |
"maxSpecies": "gracilaria",
|
| 1219 |
"nSpecies": 8
|
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|
| 1220 |
}
|
| 1221 |
},
|
| 1222 |
"bySpecies": [
|
|
@@ -1230,7 +1442,9 @@
|
|
| 1230 |
"f1": 0.8393,
|
| 1231 |
"precision": 0.8325,
|
| 1232 |
"recall": 0.8493,
|
| 1233 |
-
"specificity": 0.8173
|
|
|
|
|
|
|
| 1234 |
},
|
| 1235 |
{
|
| 1236 |
"species": "Spirulina (Arthrospira platensis)",
|
|
@@ -1242,7 +1456,9 @@
|
|
| 1242 |
"f1": 0.8094,
|
| 1243 |
"precision": 0.7938,
|
| 1244 |
"recall": 0.8352,
|
| 1245 |
-
"specificity": 0.7732
|
|
|
|
|
|
|
| 1246 |
},
|
| 1247 |
{
|
| 1248 |
"species": "Potato (Solanum tuberosum)",
|
|
@@ -1254,7 +1470,9 @@
|
|
| 1254 |
"f1": 0.7745,
|
| 1255 |
"precision": 0.7705,
|
| 1256 |
"recall": 0.7838,
|
| 1257 |
-
"specificity": 0.7729
|
|
|
|
|
|
|
| 1258 |
},
|
| 1259 |
{
|
| 1260 |
"species": "Soybean (Glycine max)",
|
|
@@ -1266,7 +1484,9 @@
|
|
| 1266 |
"f1": 0.7182,
|
| 1267 |
"precision": 0.6867,
|
| 1268 |
"recall": 0.8085,
|
| 1269 |
-
"specificity": 0.723
|
|
|
|
|
|
|
| 1270 |
},
|
| 1271 |
{
|
| 1272 |
"species": "wheat",
|
|
@@ -1278,7 +1498,9 @@
|
|
| 1278 |
"f1": 0.7497,
|
| 1279 |
"precision": 0.7113,
|
| 1280 |
"recall": 0.8047,
|
| 1281 |
-
"specificity": 0.651
|
|
|
|
|
|
|
| 1282 |
},
|
| 1283 |
{
|
| 1284 |
"species": "Red rice bran (Oryza sativa)",
|
|
@@ -1290,7 +1512,9 @@
|
|
| 1290 |
"f1": 0.6922,
|
| 1291 |
"precision": 0.6962,
|
| 1292 |
"recall": 0.7371,
|
| 1293 |
-
"specificity": 0.5902
|
|
|
|
|
|
|
| 1294 |
},
|
| 1295 |
{
|
| 1296 |
"species": "Tetradesmus obliquus (microalga)",
|
|
@@ -1302,7 +1526,9 @@
|
|
| 1302 |
"f1": 0.6913,
|
| 1303 |
"precision": 0.7102,
|
| 1304 |
"recall": 0.7419,
|
| 1305 |
-
"specificity": 0.6087
|
|
|
|
|
|
|
| 1306 |
},
|
| 1307 |
{
|
| 1308 |
"species": "Faba bean (Vicia faba)",
|
|
@@ -1314,7 +1540,9 @@
|
|
| 1314 |
"f1": 0.7217,
|
| 1315 |
"precision": 0.6949,
|
| 1316 |
"recall": 0.8117,
|
| 1317 |
-
"specificity": 0.3821
|
|
|
|
|
|
|
| 1318 |
}
|
| 1319 |
],
|
| 1320 |
"partial": false
|
|
@@ -1324,7 +1552,7 @@
|
|
| 1324 |
"classifier": "rf",
|
| 1325 |
"featureSet": "esm2_phys",
|
| 1326 |
"label": "Random forest \u00b7 ESM2 + physicochemical",
|
| 1327 |
-
"description": "
|
| 1328 |
"nSpecies": 8,
|
| 1329 |
"nDatasets": 30,
|
| 1330 |
"agg": {
|
|
@@ -1391,6 +1619,22 @@
|
|
| 1391 |
"minSpecies": "Faba bean (Vicia faba)",
|
| 1392 |
"maxSpecies": "gracilaria",
|
| 1393 |
"nSpecies": 8
|
|
|
|
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|
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|
| 1394 |
}
|
| 1395 |
},
|
| 1396 |
"bySpecies": [
|
|
@@ -1404,7 +1648,9 @@
|
|
| 1404 |
"f1": 0.8185,
|
| 1405 |
"precision": 0.8316,
|
| 1406 |
"recall": 0.8115,
|
| 1407 |
-
"specificity": 0.829
|
|
|
|
|
|
|
| 1408 |
},
|
| 1409 |
{
|
| 1410 |
"species": "Spirulina (Arthrospira platensis)",
|
|
@@ -1416,7 +1662,9 @@
|
|
| 1416 |
"f1": 0.8028,
|
| 1417 |
"precision": 0.7936,
|
| 1418 |
"recall": 0.8219,
|
| 1419 |
-
"specificity": 0.7809
|
|
|
|
|
|
|
| 1420 |
},
|
| 1421 |
{
|
| 1422 |
"species": "Potato (Solanum tuberosum)",
|
|
@@ -1428,7 +1676,9 @@
|
|
| 1428 |
"f1": 0.7744,
|
| 1429 |
"precision": 0.7729,
|
| 1430 |
"recall": 0.7805,
|
| 1431 |
-
"specificity": 0.7768
|
|
|
|
|
|
|
| 1432 |
},
|
| 1433 |
{
|
| 1434 |
"species": "Soybean (Glycine max)",
|
|
@@ -1440,7 +1690,9 @@
|
|
| 1440 |
"f1": 0.7093,
|
| 1441 |
"precision": 0.7035,
|
| 1442 |
"recall": 0.7739,
|
| 1443 |
-
"specificity": 0.7522
|
|
|
|
|
|
|
| 1444 |
},
|
| 1445 |
{
|
| 1446 |
"species": "wheat",
|
|
@@ -1452,7 +1704,9 @@
|
|
| 1452 |
"f1": 0.7526,
|
| 1453 |
"precision": 0.7065,
|
| 1454 |
"recall": 0.8162,
|
| 1455 |
-
"specificity": 0.6377
|
|
|
|
|
|
|
| 1456 |
},
|
| 1457 |
{
|
| 1458 |
"species": "Faba bean (Vicia faba)",
|
|
@@ -1464,7 +1718,9 @@
|
|
| 1464 |
"f1": 0.7349,
|
| 1465 |
"precision": 0.7016,
|
| 1466 |
"recall": 0.8311,
|
| 1467 |
-
"specificity": 0.391
|
|
|
|
|
|
|
| 1468 |
},
|
| 1469 |
{
|
| 1470 |
"species": "Tetradesmus obliquus (microalga)",
|
|
@@ -1476,7 +1732,9 @@
|
|
| 1476 |
"f1": 0.6834,
|
| 1477 |
"precision": 0.7126,
|
| 1478 |
"recall": 0.7116,
|
| 1479 |
-
"specificity": 0.6356
|
|
|
|
|
|
|
| 1480 |
},
|
| 1481 |
{
|
| 1482 |
"species": "Red rice bran (Oryza sativa)",
|
|
@@ -1488,7 +1746,9 @@
|
|
| 1488 |
"f1": 0.6812,
|
| 1489 |
"precision": 0.6718,
|
| 1490 |
"recall": 0.7442,
|
| 1491 |
-
"specificity": 0.5299
|
|
|
|
|
|
|
| 1492 |
}
|
| 1493 |
],
|
| 1494 |
"partial": false
|
|
@@ -1498,7 +1758,7 @@
|
|
| 1498 |
"classifier": "rf",
|
| 1499 |
"featureSet": "esm2",
|
| 1500 |
"label": "Random forest \u00b7 ESM2",
|
| 1501 |
-
"description": "
|
| 1502 |
"nSpecies": 8,
|
| 1503 |
"nDatasets": 30,
|
| 1504 |
"agg": {
|
|
@@ -1565,6 +1825,22 @@
|
|
| 1565 |
"minSpecies": "Faba bean (Vicia faba)",
|
| 1566 |
"maxSpecies": "gracilaria",
|
| 1567 |
"nSpecies": 8
|
|
|
|
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|
|
|
|
| 1568 |
}
|
| 1569 |
},
|
| 1570 |
"bySpecies": [
|
|
@@ -1578,7 +1854,9 @@
|
|
| 1578 |
"f1": 0.8064,
|
| 1579 |
"precision": 0.8091,
|
| 1580 |
"recall": 0.8092,
|
| 1581 |
-
"specificity": 0.7869
|
|
|
|
|
|
|
| 1582 |
},
|
| 1583 |
{
|
| 1584 |
"species": "Spirulina (Arthrospira platensis)",
|
|
@@ -1590,7 +1868,9 @@
|
|
| 1590 |
"f1": 0.7992,
|
| 1591 |
"precision": 0.7952,
|
| 1592 |
"recall": 0.8139,
|
| 1593 |
-
"specificity": 0.7851
|
|
|
|
|
|
|
| 1594 |
},
|
| 1595 |
{
|
| 1596 |
"species": "Potato (Solanum tuberosum)",
|
|
@@ -1602,7 +1882,9 @@
|
|
| 1602 |
"f1": 0.7701,
|
| 1603 |
"precision": 0.7724,
|
| 1604 |
"recall": 0.7725,
|
| 1605 |
-
"specificity": 0.7786
|
|
|
|
|
|
|
| 1606 |
},
|
| 1607 |
{
|
| 1608 |
"species": "Soybean (Glycine max)",
|
|
@@ -1614,7 +1896,9 @@
|
|
| 1614 |
"f1": 0.7155,
|
| 1615 |
"precision": 0.7011,
|
| 1616 |
"recall": 0.7971,
|
| 1617 |
-
"specificity": 0.7447
|
|
|
|
|
|
|
| 1618 |
},
|
| 1619 |
{
|
| 1620 |
"species": "wheat",
|
|
@@ -1626,7 +1910,9 @@
|
|
| 1626 |
"f1": 0.7509,
|
| 1627 |
"precision": 0.7056,
|
| 1628 |
"recall": 0.8134,
|
| 1629 |
-
"specificity": 0.6371
|
|
|
|
|
|
|
| 1630 |
},
|
| 1631 |
{
|
| 1632 |
"species": "Faba bean (Vicia faba)",
|
|
@@ -1638,7 +1924,9 @@
|
|
| 1638 |
"f1": 0.7386,
|
| 1639 |
"precision": 0.7023,
|
| 1640 |
"recall": 0.8383,
|
| 1641 |
-
"specificity": 0.3918
|
|
|
|
|
|
|
| 1642 |
},
|
| 1643 |
{
|
| 1644 |
"species": "Tetradesmus obliquus (microalga)",
|
|
@@ -1650,7 +1938,9 @@
|
|
| 1650 |
"f1": 0.6622,
|
| 1651 |
"precision": 0.7013,
|
| 1652 |
"recall": 0.6863,
|
| 1653 |
-
"specificity": 0.6165
|
|
|
|
|
|
|
| 1654 |
},
|
| 1655 |
{
|
| 1656 |
"species": "Red rice bran (Oryza sativa)",
|
|
@@ -1662,7 +1952,9 @@
|
|
| 1662 |
"f1": 0.6593,
|
| 1663 |
"precision": 0.6537,
|
| 1664 |
"recall": 0.7253,
|
| 1665 |
-
"specificity": 0.4949
|
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|
| 1666 |
}
|
| 1667 |
],
|
| 1668 |
"partial": false
|
|
@@ -1672,7 +1964,7 @@
|
|
| 1672 |
"classifier": "rf",
|
| 1673 |
"featureSet": "phys",
|
| 1674 |
"label": "Random forest \u00b7 Physicochemical",
|
| 1675 |
-
"description": "
|
| 1676 |
"nSpecies": 8,
|
| 1677 |
"nDatasets": 30,
|
| 1678 |
"agg": {
|
|
@@ -1739,6 +2031,22 @@
|
|
| 1739 |
"minSpecies": "Faba bean (Vicia faba)",
|
| 1740 |
"maxSpecies": "Spirulina (Arthrospira platensis)",
|
| 1741 |
"nSpecies": 8
|
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| 1742 |
}
|
| 1743 |
},
|
| 1744 |
"bySpecies": [
|
|
@@ -1752,7 +2060,9 @@
|
|
| 1752 |
"f1": 0.788,
|
| 1753 |
"precision": 0.7707,
|
| 1754 |
"recall": 0.826,
|
| 1755 |
-
"specificity": 0.7283
|
|
|
|
|
|
|
| 1756 |
},
|
| 1757 |
{
|
| 1758 |
"species": "Spirulina (Arthrospira platensis)",
|
|
@@ -1764,7 +2074,9 @@
|
|
| 1764 |
"f1": 0.8018,
|
| 1765 |
"precision": 0.7896,
|
| 1766 |
"recall": 0.8239,
|
| 1767 |
-
"specificity": 0.7706
|
|
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|
| 1768 |
},
|
| 1769 |
{
|
| 1770 |
"species": "Potato (Solanum tuberosum)",
|
|
@@ -1776,7 +2088,9 @@
|
|
| 1776 |
"f1": 0.7579,
|
| 1777 |
"precision": 0.75,
|
| 1778 |
"recall": 0.7701,
|
| 1779 |
-
"specificity": 0.7487
|
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|
| 1780 |
},
|
| 1781 |
{
|
| 1782 |
"species": "Faba bean (Vicia faba)",
|
|
@@ -1788,7 +2102,9 @@
|
|
| 1788 |
"f1": 0.749,
|
| 1789 |
"precision": 0.728,
|
| 1790 |
"recall": 0.8072,
|
| 1791 |
-
"specificity": 0.5762
|
|
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| 1792 |
},
|
| 1793 |
{
|
| 1794 |
"species": "Soybean (Glycine max)",
|
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@@ -1800,7 +2116,9 @@
|
|
| 1800 |
"f1": 0.646,
|
| 1801 |
"precision": 0.659,
|
| 1802 |
"recall": 0.697,
|
| 1803 |
-
"specificity": 0.7169
|
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| 1804 |
},
|
| 1805 |
{
|
| 1806 |
"species": "wheat",
|
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@@ -1812,7 +2130,9 @@
|
|
| 1812 |
"f1": 0.7237,
|
| 1813 |
"precision": 0.6861,
|
| 1814 |
"recall": 0.7745,
|
| 1815 |
-
"specificity": 0.6242
|
|
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|
|
|
|
| 1816 |
},
|
| 1817 |
{
|
| 1818 |
"species": "Tetradesmus obliquus (microalga)",
|
|
@@ -1824,7 +2144,9 @@
|
|
| 1824 |
"f1": 0.6949,
|
| 1825 |
"precision": 0.7324,
|
| 1826 |
"recall": 0.6974,
|
| 1827 |
-
"specificity": 0.6867
|
|
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|
|
| 1828 |
},
|
| 1829 |
{
|
| 1830 |
"species": "Red rice bran (Oryza sativa)",
|
|
@@ -1836,7 +2158,9 @@
|
|
| 1836 |
"f1": 0.6967,
|
| 1837 |
"precision": 0.7086,
|
| 1838 |
"recall": 0.7247,
|
| 1839 |
-
"specificity": 0.6185
|
|
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|
| 1840 |
}
|
| 1841 |
],
|
| 1842 |
"partial": false
|
|
@@ -1846,7 +2170,7 @@
|
|
| 1846 |
"classifier": "xgb",
|
| 1847 |
"featureSet": "phys",
|
| 1848 |
"label": "XGBoost \u00b7 Physicochemical",
|
| 1849 |
-
"description": "Gradient-boosted decision trees
|
| 1850 |
"nSpecies": 8,
|
| 1851 |
"nDatasets": 30,
|
| 1852 |
"agg": {
|
|
@@ -1913,6 +2237,22 @@
|
|
| 1913 |
"minSpecies": "Faba bean (Vicia faba)",
|
| 1914 |
"maxSpecies": "Spirulina (Arthrospira platensis)",
|
| 1915 |
"nSpecies": 8
|
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|
| 1916 |
}
|
| 1917 |
},
|
| 1918 |
"bySpecies": [
|
|
@@ -1926,7 +2266,9 @@
|
|
| 1926 |
"f1": 0.8122,
|
| 1927 |
"precision": 0.7824,
|
| 1928 |
"recall": 0.8552,
|
| 1929 |
-
"specificity": 0.7457
|
|
|
|
|
|
|
| 1930 |
},
|
| 1931 |
{
|
| 1932 |
"species": "Spirulina (Arthrospira platensis)",
|
|
@@ -1938,7 +2280,9 @@
|
|
| 1938 |
"f1": 0.7966,
|
| 1939 |
"precision": 0.7895,
|
| 1940 |
"recall": 0.8119,
|
| 1941 |
-
"specificity": 0.7723
|
|
|
|
|
|
|
| 1942 |
},
|
| 1943 |
{
|
| 1944 |
"species": "Potato (Solanum tuberosum)",
|
|
@@ -1950,7 +2294,9 @@
|
|
| 1950 |
"f1": 0.7616,
|
| 1951 |
"precision": 0.7475,
|
| 1952 |
"recall": 0.7794,
|
| 1953 |
-
"specificity": 0.7417
|
|
|
|
|
|
|
| 1954 |
},
|
| 1955 |
{
|
| 1956 |
"species": "Faba bean (Vicia faba)",
|
|
@@ -1962,7 +2308,9 @@
|
|
| 1962 |
"f1": 0.8344,
|
| 1963 |
"precision": 0.8231,
|
| 1964 |
"recall": 0.8792,
|
| 1965 |
-
"specificity": 0.5668
|
|
|
|
|
|
|
| 1966 |
},
|
| 1967 |
{
|
| 1968 |
"species": "Tetradesmus obliquus (microalga)",
|
|
@@ -1974,7 +2322,9 @@
|
|
| 1974 |
"f1": 0.7017,
|
| 1975 |
"precision": 0.7197,
|
| 1976 |
"recall": 0.7183,
|
| 1977 |
-
"specificity": 0.6611
|
|
|
|
|
|
|
| 1978 |
},
|
| 1979 |
{
|
| 1980 |
"species": "Soybean (Glycine max)",
|
|
@@ -1986,7 +2336,9 @@
|
|
| 1986 |
"f1": 0.649,
|
| 1987 |
"precision": 0.6453,
|
| 1988 |
"recall": 0.7208,
|
| 1989 |
-
"specificity": 0.6825
|
|
|
|
|
|
|
| 1990 |
},
|
| 1991 |
{
|
| 1992 |
"species": "wheat",
|
|
@@ -1998,7 +2350,9 @@
|
|
| 1998 |
"f1": 0.7217,
|
| 1999 |
"precision": 0.6847,
|
| 2000 |
"recall": 0.7696,
|
| 2001 |
-
"specificity": 0.6256
|
|
|
|
|
|
|
| 2002 |
},
|
| 2003 |
{
|
| 2004 |
"species": "Red rice bran (Oryza sativa)",
|
|
@@ -2010,7 +2364,9 @@
|
|
| 2010 |
"f1": 0.7092,
|
| 2011 |
"precision": 0.7075,
|
| 2012 |
"recall": 0.7422,
|
| 2013 |
-
"specificity": 0.6158
|
|
|
|
|
|
|
| 2014 |
}
|
| 2015 |
],
|
| 2016 |
"partial": false
|
|
@@ -2020,7 +2376,7 @@
|
|
| 2020 |
"classifier": "xgb",
|
| 2021 |
"featureSet": "pepbert",
|
| 2022 |
"label": "XGBoost \u00b7 PepBERT",
|
| 2023 |
-
"description": "Gradient-boosted decision trees
|
| 2024 |
"nSpecies": 8,
|
| 2025 |
"nDatasets": 30,
|
| 2026 |
"agg": {
|
|
@@ -2087,6 +2443,22 @@
|
|
| 2087 |
"minSpecies": "Faba bean (Vicia faba)",
|
| 2088 |
"maxSpecies": "gracilaria",
|
| 2089 |
"nSpecies": 8
|
|
|
|
|
|
|
|
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|
|
|
| 2090 |
}
|
| 2091 |
},
|
| 2092 |
"bySpecies": [
|
|
@@ -2100,7 +2472,9 @@
|
|
| 2100 |
"f1": 0.8353,
|
| 2101 |
"precision": 0.8244,
|
| 2102 |
"recall": 0.8497,
|
| 2103 |
-
"specificity": 0.7981
|
|
|
|
|
|
|
| 2104 |
},
|
| 2105 |
{
|
| 2106 |
"species": "Spirulina (Arthrospira platensis)",
|
|
@@ -2112,7 +2486,9 @@
|
|
| 2112 |
"f1": 0.8036,
|
| 2113 |
"precision": 0.7972,
|
| 2114 |
"recall": 0.8186,
|
| 2115 |
-
"specificity": 0.7851
|
|
|
|
|
|
|
| 2116 |
},
|
| 2117 |
{
|
| 2118 |
"species": "Potato (Solanum tuberosum)",
|
|
@@ -2124,7 +2500,9 @@
|
|
| 2124 |
"f1": 0.7806,
|
| 2125 |
"precision": 0.7771,
|
| 2126 |
"recall": 0.7871,
|
| 2127 |
-
"specificity": 0.7799
|
|
|
|
|
|
|
| 2128 |
},
|
| 2129 |
{
|
| 2130 |
"species": "Soybean (Glycine max)",
|
|
@@ -2136,7 +2514,9 @@
|
|
| 2136 |
"f1": 0.7229,
|
| 2137 |
"precision": 0.695,
|
| 2138 |
"recall": 0.8075,
|
| 2139 |
-
"specificity": 0.7324
|
|
|
|
|
|
|
| 2140 |
},
|
| 2141 |
{
|
| 2142 |
"species": "wheat",
|
|
@@ -2148,7 +2528,9 @@
|
|
| 2148 |
"f1": 0.7588,
|
| 2149 |
"precision": 0.7197,
|
| 2150 |
"recall": 0.8101,
|
| 2151 |
-
"specificity": 0.664
|
|
|
|
|
|
|
| 2152 |
},
|
| 2153 |
{
|
| 2154 |
"species": "Red rice bran (Oryza sativa)",
|
|
@@ -2160,7 +2542,9 @@
|
|
| 2160 |
"f1": 0.6984,
|
| 2161 |
"precision": 0.6867,
|
| 2162 |
"recall": 0.7438,
|
| 2163 |
-
"specificity": 0.5761
|
|
|
|
|
|
|
| 2164 |
},
|
| 2165 |
{
|
| 2166 |
"species": "Tetradesmus obliquus (microalga)",
|
|
@@ -2172,7 +2556,9 @@
|
|
| 2172 |
"f1": 0.6924,
|
| 2173 |
"precision": 0.6974,
|
| 2174 |
"recall": 0.7256,
|
| 2175 |
-
"specificity": 0.6102
|
|
|
|
|
|
|
| 2176 |
},
|
| 2177 |
{
|
| 2178 |
"species": "Faba bean (Vicia faba)",
|
|
@@ -2184,7 +2570,9 @@
|
|
| 2184 |
"f1": 0.8102,
|
| 2185 |
"precision": 0.7944,
|
| 2186 |
"recall": 0.8821,
|
| 2187 |
-
"specificity": 0.41
|
|
|
|
|
|
|
| 2188 |
}
|
| 2189 |
],
|
| 2190 |
"partial": false
|
|
@@ -2261,6 +2649,22 @@
|
|
| 2261 |
"minSpecies": "Faba bean (Vicia faba)",
|
| 2262 |
"maxSpecies": "gracilaria",
|
| 2263 |
"nSpecies": 8
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
| 2264 |
}
|
| 2265 |
},
|
| 2266 |
"bySpecies": [
|
|
@@ -2274,7 +2678,9 @@
|
|
| 2274 |
"f1": 0.8133,
|
| 2275 |
"precision": 0.7946,
|
| 2276 |
"recall": 0.8374,
|
| 2277 |
-
"specificity": 0.7739
|
|
|
|
|
|
|
| 2278 |
},
|
| 2279 |
{
|
| 2280 |
"species": "Spirulina (Arthrospira platensis)",
|
|
@@ -2286,7 +2692,9 @@
|
|
| 2286 |
"f1": 0.8084,
|
| 2287 |
"precision": 0.7936,
|
| 2288 |
"recall": 0.8329,
|
| 2289 |
-
"specificity": 0.7732
|
|
|
|
|
|
|
| 2290 |
},
|
| 2291 |
{
|
| 2292 |
"species": "Potato (Solanum tuberosum)",
|
|
@@ -2298,7 +2706,9 @@
|
|
| 2298 |
"f1": 0.7783,
|
| 2299 |
"precision": 0.7728,
|
| 2300 |
"recall": 0.7872,
|
| 2301 |
-
"specificity": 0.7734
|
|
|
|
|
|
|
| 2302 |
},
|
| 2303 |
{
|
| 2304 |
"species": "Soybean (Glycine max)",
|
|
@@ -2310,7 +2720,9 @@
|
|
| 2310 |
"f1": 0.7185,
|
| 2311 |
"precision": 0.7165,
|
| 2312 |
"recall": 0.7735,
|
| 2313 |
-
"specificity": 0.7616
|
|
|
|
|
|
|
| 2314 |
},
|
| 2315 |
{
|
| 2316 |
"species": "wheat",
|
|
@@ -2322,7 +2734,9 @@
|
|
| 2322 |
"f1": 0.7544,
|
| 2323 |
"precision": 0.7211,
|
| 2324 |
"recall": 0.7991,
|
| 2325 |
-
"specificity": 0.6735
|
|
|
|
|
|
|
| 2326 |
},
|
| 2327 |
{
|
| 2328 |
"species": "Faba bean (Vicia faba)",
|
|
@@ -2334,7 +2748,9 @@
|
|
| 2334 |
"f1": 0.625,
|
| 2335 |
"precision": 0.6004,
|
| 2336 |
"recall": 0.7079,
|
| 2337 |
-
"specificity": 0.4211
|
|
|
|
|
|
|
| 2338 |
},
|
| 2339 |
{
|
| 2340 |
"species": "Red rice bran (Oryza sativa)",
|
|
@@ -2346,7 +2762,9 @@
|
|
| 2346 |
"f1": 0.6815,
|
| 2347 |
"precision": 0.6645,
|
| 2348 |
"recall": 0.7515,
|
| 2349 |
-
"specificity": 0.5091
|
|
|
|
|
|
|
| 2350 |
},
|
| 2351 |
{
|
| 2352 |
"species": "Tetradesmus obliquus (microalga)",
|
|
@@ -2358,7 +2776,9 @@
|
|
| 2358 |
"f1": 0.6919,
|
| 2359 |
"precision": 0.6807,
|
| 2360 |
"recall": 0.746,
|
| 2361 |
-
"specificity": 0.5542
|
|
|
|
|
|
|
| 2362 |
}
|
| 2363 |
],
|
| 2364 |
"partial": false
|
|
@@ -2368,7 +2788,7 @@
|
|
| 2368 |
"classifier": "rf",
|
| 2369 |
"featureSet": "pepbert",
|
| 2370 |
"label": "Random forest \u00b7 PepBERT",
|
| 2371 |
-
"description": "
|
| 2372 |
"nSpecies": 8,
|
| 2373 |
"nDatasets": 30,
|
| 2374 |
"agg": {
|
|
@@ -2435,6 +2855,22 @@
|
|
| 2435 |
"minSpecies": "Faba bean (Vicia faba)",
|
| 2436 |
"maxSpecies": "gracilaria",
|
| 2437 |
"nSpecies": 8
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
| 2438 |
}
|
| 2439 |
},
|
| 2440 |
"bySpecies": [
|
|
@@ -2448,7 +2884,9 @@
|
|
| 2448 |
"f1": 0.8302,
|
| 2449 |
"precision": 0.8346,
|
| 2450 |
"recall": 0.8286,
|
| 2451 |
-
"specificity": 0.8219
|
|
|
|
|
|
|
| 2452 |
},
|
| 2453 |
{
|
| 2454 |
"species": "Spirulina (Arthrospira platensis)",
|
|
@@ -2460,7 +2898,9 @@
|
|
| 2460 |
"f1": 0.7834,
|
| 2461 |
"precision": 0.7843,
|
| 2462 |
"recall": 0.7963,
|
| 2463 |
-
"specificity": 0.7724
|
|
|
|
|
|
|
| 2464 |
},
|
| 2465 |
{
|
| 2466 |
"species": "Potato (Solanum tuberosum)",
|
|
@@ -2472,7 +2912,9 @@
|
|
| 2472 |
"f1": 0.7599,
|
| 2473 |
"precision": 0.7692,
|
| 2474 |
"recall": 0.7571,
|
| 2475 |
-
"specificity": 0.7791
|
|
|
|
|
|
|
| 2476 |
},
|
| 2477 |
{
|
| 2478 |
"species": "Soybean (Glycine max)",
|
|
@@ -2484,7 +2926,9 @@
|
|
| 2484 |
"f1": 0.7028,
|
| 2485 |
"precision": 0.6751,
|
| 2486 |
"recall": 0.7892,
|
| 2487 |
-
"specificity": 0.71
|
|
|
|
|
|
|
| 2488 |
},
|
| 2489 |
{
|
| 2490 |
"species": "wheat",
|
|
@@ -2496,7 +2940,9 @@
|
|
| 2496 |
"f1": 0.7402,
|
| 2497 |
"precision": 0.7024,
|
| 2498 |
"recall": 0.7949,
|
| 2499 |
-
"specificity": 0.6406
|
|
|
|
|
|
|
| 2500 |
},
|
| 2501 |
{
|
| 2502 |
"species": "Red rice bran (Oryza sativa)",
|
|
@@ -2508,7 +2954,9 @@
|
|
| 2508 |
"f1": 0.6816,
|
| 2509 |
"precision": 0.6801,
|
| 2510 |
"recall": 0.7353,
|
| 2511 |
-
"specificity": 0.555
|
|
|
|
|
|
|
| 2512 |
},
|
| 2513 |
{
|
| 2514 |
"species": "Tetradesmus obliquus (microalga)",
|
|
@@ -2520,7 +2968,9 @@
|
|
| 2520 |
"f1": 0.6469,
|
| 2521 |
"precision": 0.6841,
|
| 2522 |
"recall": 0.6966,
|
| 2523 |
-
"specificity": 0.5675
|
|
|
|
|
|
|
| 2524 |
},
|
| 2525 |
{
|
| 2526 |
"species": "Faba bean (Vicia faba)",
|
|
@@ -2532,7 +2982,9 @@
|
|
| 2532 |
"f1": 0.7049,
|
| 2533 |
"precision": 0.6921,
|
| 2534 |
"recall": 0.7872,
|
| 2535 |
-
"specificity": 0.3767
|
|
|
|
|
|
|
| 2536 |
}
|
| 2537 |
],
|
| 2538 |
"partial": false
|
|
@@ -2609,6 +3061,22 @@
|
|
| 2609 |
"minSpecies": "Red rice bran (Oryza sativa)",
|
| 2610 |
"maxSpecies": "gracilaria",
|
| 2611 |
"nSpecies": 8
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 2612 |
}
|
| 2613 |
},
|
| 2614 |
"bySpecies": [
|
|
@@ -2622,7 +3090,9 @@
|
|
| 2622 |
"f1": 0.8234,
|
| 2623 |
"precision": 0.7979,
|
| 2624 |
"recall": 0.8571,
|
| 2625 |
-
"specificity": 0.7733
|
|
|
|
|
|
|
| 2626 |
},
|
| 2627 |
{
|
| 2628 |
"species": "Spirulina (Arthrospira platensis)",
|
|
@@ -2634,7 +3104,9 @@
|
|
| 2634 |
"f1": 0.7919,
|
| 2635 |
"precision": 0.7815,
|
| 2636 |
"recall": 0.8151,
|
| 2637 |
-
"specificity": 0.7621
|
|
|
|
|
|
|
| 2638 |
},
|
| 2639 |
{
|
| 2640 |
"species": "Faba bean (Vicia faba)",
|
|
@@ -2646,7 +3118,9 @@
|
|
| 2646 |
"f1": 0.741,
|
| 2647 |
"precision": 0.7295,
|
| 2648 |
"recall": 0.7976,
|
| 2649 |
-
"specificity": 0.5743
|
|
|
|
|
|
|
| 2650 |
},
|
| 2651 |
{
|
| 2652 |
"species": "Potato (Solanum tuberosum)",
|
|
@@ -2658,7 +3132,9 @@
|
|
| 2658 |
"f1": 0.7467,
|
| 2659 |
"precision": 0.7403,
|
| 2660 |
"recall": 0.7579,
|
| 2661 |
-
"specificity": 0.7378
|
|
|
|
|
|
|
| 2662 |
},
|
| 2663 |
{
|
| 2664 |
"species": "Soybean (Glycine max)",
|
|
@@ -2670,7 +3146,9 @@
|
|
| 2670 |
"f1": 0.6638,
|
| 2671 |
"precision": 0.6707,
|
| 2672 |
"recall": 0.7191,
|
| 2673 |
-
"specificity": 0.73
|
|
|
|
|
|
|
| 2674 |
},
|
| 2675 |
{
|
| 2676 |
"species": "wheat",
|
|
@@ -2682,7 +3160,9 @@
|
|
| 2682 |
"f1": 0.7156,
|
| 2683 |
"precision": 0.6822,
|
| 2684 |
"recall": 0.7612,
|
| 2685 |
-
"specificity": 0.6242
|
|
|
|
|
|
|
| 2686 |
},
|
| 2687 |
{
|
| 2688 |
"species": "Tetradesmus obliquus (microalga)",
|
|
@@ -2694,7 +3174,9 @@
|
|
| 2694 |
"f1": 0.7004,
|
| 2695 |
"precision": 0.6996,
|
| 2696 |
"recall": 0.7491,
|
| 2697 |
-
"specificity": 0.6011
|
|
|
|
|
|
|
| 2698 |
},
|
| 2699 |
{
|
| 2700 |
"species": "Red rice bran (Oryza sativa)",
|
|
@@ -2706,7 +3188,9 @@
|
|
| 2706 |
"f1": 0.6507,
|
| 2707 |
"precision": 0.6505,
|
| 2708 |
"recall": 0.7177,
|
| 2709 |
-
"specificity": 0.4784
|
|
|
|
|
|
|
| 2710 |
}
|
| 2711 |
],
|
| 2712 |
"partial": false
|
|
|
|
| 7 |
"f1",
|
| 8 |
"precision",
|
| 9 |
"recall",
|
| 10 |
+
"specificity",
|
| 11 |
+
"brier",
|
| 12 |
+
"ece"
|
| 13 |
],
|
| 14 |
"metricLabels": {
|
| 15 |
"auroc": "AUROC",
|
|
|
|
| 19 |
"f1": "F1",
|
| 20 |
"precision": "Precision",
|
| 21 |
"recall": "Sensitivity / recall",
|
| 22 |
+
"specificity": "Specificity",
|
| 23 |
+
"brier": "Brier",
|
| 24 |
+
"ece": "ECE"
|
| 25 |
},
|
| 26 |
"nSpecies": 8,
|
| 27 |
"nDatasets": 30,
|
| 28 |
+
"note": "Aggregated across species from 5-fold protein-grouped CV on the 30 usable datasets. Each value is the mean over folds, then over a species' datasets, then across species. Brier and ECE are calibration metrics where lower is better.",
|
| 29 |
"models": [
|
| 30 |
{
|
| 31 |
"id": "pfly_ft",
|
|
|
|
| 110 |
"classifier": "xgb",
|
| 111 |
"featureSet": "pep_phys",
|
| 112 |
"label": "XGBoost \u00b7 PepBERT + physicochemical",
|
| 113 |
+
"description": "Gradient-boosted decision trees. The most consistent winner across datasets. PepBERT embeddings concatenated with the 14 physicochemical descriptors.",
|
| 114 |
"nSpecies": 8,
|
| 115 |
"nDatasets": 30,
|
| 116 |
"agg": {
|
|
|
|
| 177 |
"minSpecies": "Faba bean (Vicia faba)",
|
| 178 |
"maxSpecies": "gracilaria",
|
| 179 |
"nSpecies": 8
|
| 180 |
+
},
|
| 181 |
+
"brier": {
|
| 182 |
+
"mean": 0.186,
|
| 183 |
+
"min": 0.1178,
|
| 184 |
+
"max": 0.2698,
|
| 185 |
+
"minSpecies": "gracilaria",
|
| 186 |
+
"maxSpecies": "Faba bean (Vicia faba)",
|
| 187 |
+
"nSpecies": 8
|
| 188 |
+
},
|
| 189 |
+
"ece": {
|
| 190 |
+
"mean": 0.1555,
|
| 191 |
+
"min": 0.0626,
|
| 192 |
+
"max": 0.2674,
|
| 193 |
+
"minSpecies": "Potato (Solanum tuberosum)",
|
| 194 |
+
"maxSpecies": "Faba bean (Vicia faba)",
|
| 195 |
+
"nSpecies": 8
|
| 196 |
}
|
| 197 |
},
|
| 198 |
"bySpecies": [
|
|
|
|
| 206 |
"f1": 0.8409,
|
| 207 |
"precision": 0.818,
|
| 208 |
"recall": 0.8682,
|
| 209 |
+
"specificity": 0.7887,
|
| 210 |
+
"brier": 0.1178,
|
| 211 |
+
"ece": 0.0951
|
| 212 |
},
|
| 213 |
{
|
| 214 |
"species": "Spirulina (Arthrospira platensis)",
|
|
|
|
| 220 |
"f1": 0.8249,
|
| 221 |
"precision": 0.8005,
|
| 222 |
"recall": 0.8569,
|
| 223 |
+
"specificity": 0.7778,
|
| 224 |
+
"brier": 0.1394,
|
| 225 |
+
"ece": 0.1071
|
| 226 |
},
|
| 227 |
{
|
| 228 |
"species": "Potato (Solanum tuberosum)",
|
|
|
|
| 234 |
"f1": 0.7936,
|
| 235 |
"precision": 0.7814,
|
| 236 |
"recall": 0.8093,
|
| 237 |
+
"specificity": 0.779,
|
| 238 |
+
"brier": 0.1469,
|
| 239 |
+
"ece": 0.0626
|
| 240 |
},
|
| 241 |
{
|
| 242 |
"species": "Soybean (Glycine max)",
|
|
|
|
| 248 |
"f1": 0.7349,
|
| 249 |
"precision": 0.7065,
|
| 250 |
"recall": 0.8187,
|
| 251 |
+
"specificity": 0.7451,
|
| 252 |
+
"brier": 0.1834,
|
| 253 |
+
"ece": 0.1672
|
| 254 |
},
|
| 255 |
{
|
| 256 |
"species": "wheat",
|
|
|
|
| 262 |
"f1": 0.7695,
|
| 263 |
"precision": 0.7272,
|
| 264 |
"recall": 0.8239,
|
| 265 |
+
"specificity": 0.6711,
|
| 266 |
+
"brier": 0.1809,
|
| 267 |
+
"ece": 0.1174
|
| 268 |
},
|
| 269 |
{
|
| 270 |
"species": "Red rice bran (Oryza sativa)",
|
|
|
|
| 276 |
"f1": 0.7278,
|
| 277 |
"precision": 0.6995,
|
| 278 |
"recall": 0.7826,
|
| 279 |
+
"specificity": 0.5952,
|
| 280 |
+
"brier": 0.2226,
|
| 281 |
+
"ece": 0.2067
|
| 282 |
},
|
| 283 |
{
|
| 284 |
"species": "Tetradesmus obliquus (microalga)",
|
|
|
|
| 290 |
"f1": 0.7062,
|
| 291 |
"precision": 0.716,
|
| 292 |
"recall": 0.7314,
|
| 293 |
+
"specificity": 0.6509,
|
| 294 |
+
"brier": 0.2272,
|
| 295 |
+
"ece": 0.2209
|
| 296 |
},
|
| 297 |
{
|
| 298 |
"species": "Faba bean (Vicia faba)",
|
|
|
|
| 304 |
"f1": 0.7302,
|
| 305 |
"precision": 0.7042,
|
| 306 |
"recall": 0.8037,
|
| 307 |
+
"specificity": 0.4583,
|
| 308 |
+
"brier": 0.2698,
|
| 309 |
+
"ece": 0.2674
|
| 310 |
}
|
| 311 |
],
|
| 312 |
"partial": false
|
|
|
|
| 316 |
"classifier": "xgb",
|
| 317 |
"featureSet": "esm2_phys",
|
| 318 |
"label": "XGBoost \u00b7 ESM2 + physicochemical",
|
| 319 |
+
"description": "Gradient-boosted decision trees. The most consistent winner across datasets. ESM2 embeddings plus the 14 physicochemical descriptors. Best overall.",
|
| 320 |
"nSpecies": 8,
|
| 321 |
"nDatasets": 30,
|
| 322 |
"agg": {
|
|
|
|
| 383 |
"minSpecies": "Faba bean (Vicia faba)",
|
| 384 |
"maxSpecies": "gracilaria",
|
| 385 |
"nSpecies": 8
|
| 386 |
+
},
|
| 387 |
+
"brier": {
|
| 388 |
+
"mean": 0.1918,
|
| 389 |
+
"min": 0.1168,
|
| 390 |
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"max": 0.28,
|
| 391 |
+
"minSpecies": "gracilaria",
|
| 392 |
+
"maxSpecies": "Faba bean (Vicia faba)",
|
| 393 |
+
"nSpecies": 8
|
| 394 |
+
},
|
| 395 |
+
"ece": {
|
| 396 |
+
"mean": 0.1594,
|
| 397 |
+
"min": 0.0684,
|
| 398 |
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"max": 0.2359,
|
| 399 |
+
"minSpecies": "Potato (Solanum tuberosum)",
|
| 400 |
+
"maxSpecies": "Faba bean (Vicia faba)",
|
| 401 |
+
"nSpecies": 8
|
| 402 |
}
|
| 403 |
},
|
| 404 |
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|
|
|
| 412 |
"f1": 0.8377,
|
| 413 |
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|
| 414 |
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|
| 415 |
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"specificity": 0.8315,
|
| 416 |
+
"brier": 0.1168,
|
| 417 |
+
"ece": 0.1025
|
| 418 |
},
|
| 419 |
{
|
| 420 |
"species": "Spirulina (Arthrospira platensis)",
|
|
|
|
| 426 |
"f1": 0.8161,
|
| 427 |
"precision": 0.8009,
|
| 428 |
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|
| 429 |
+
"specificity": 0.7867,
|
| 430 |
+
"brier": 0.1454,
|
| 431 |
+
"ece": 0.1218
|
| 432 |
},
|
| 433 |
{
|
| 434 |
"species": "Potato (Solanum tuberosum)",
|
|
|
|
| 440 |
"f1": 0.7895,
|
| 441 |
"precision": 0.7781,
|
| 442 |
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|
| 443 |
+
"specificity": 0.7759,
|
| 444 |
+
"brier": 0.1492,
|
| 445 |
+
"ece": 0.0684
|
| 446 |
},
|
| 447 |
{
|
| 448 |
"species": "Soybean (Glycine max)",
|
|
|
|
| 454 |
"f1": 0.7253,
|
| 455 |
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|
| 456 |
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|
| 457 |
+
"specificity": 0.7512,
|
| 458 |
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"brier": 0.1795,
|
| 459 |
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"ece": 0.1552
|
| 460 |
},
|
| 461 |
{
|
| 462 |
"species": "wheat",
|
|
|
|
| 468 |
"f1": 0.7691,
|
| 469 |
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|
| 470 |
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|
| 471 |
+
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|
| 472 |
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"brier": 0.1854,
|
| 473 |
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"ece": 0.1304
|
| 474 |
},
|
| 475 |
{
|
| 476 |
"species": "Faba bean (Vicia faba)",
|
|
|
|
| 482 |
"f1": 0.7492,
|
| 483 |
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|
| 484 |
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|
| 485 |
+
"specificity": 0.4192,
|
| 486 |
+
"brier": 0.28,
|
| 487 |
+
"ece": 0.2359
|
| 488 |
},
|
| 489 |
{
|
| 490 |
"species": "Tetradesmus obliquus (microalga)",
|
|
|
|
| 496 |
"f1": 0.6923,
|
| 497 |
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|
| 498 |
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|
| 499 |
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|
| 500 |
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|
| 501 |
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"ece": 0.2338
|
| 502 |
},
|
| 503 |
{
|
| 504 |
"species": "Red rice bran (Oryza sativa)",
|
|
|
|
| 510 |
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|
| 511 |
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|
| 512 |
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|
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|
| 514 |
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|
| 515 |
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"ece": 0.227
|
| 516 |
}
|
| 517 |
],
|
| 518 |
"partial": false
|
|
|
|
| 522 |
"classifier": "xgb",
|
| 523 |
"featureSet": "esm2",
|
| 524 |
"label": "XGBoost \u00b7 ESM2",
|
| 525 |
+
"description": "Gradient-boosted decision trees. The most consistent winner across datasets. ESM2-t12-35M protein-language-model embeddings of the peptide sequence.",
|
| 526 |
"nSpecies": 8,
|
| 527 |
"nDatasets": 30,
|
| 528 |
"agg": {
|
|
|
|
| 589 |
"minSpecies": "Faba bean (Vicia faba)",
|
| 590 |
"maxSpecies": "gracilaria",
|
| 591 |
"nSpecies": 8
|
| 592 |
+
},
|
| 593 |
+
"brier": {
|
| 594 |
+
"mean": 0.1954,
|
| 595 |
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"min": 0.1208,
|
| 596 |
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"max": 0.2773,
|
| 597 |
+
"minSpecies": "gracilaria",
|
| 598 |
+
"maxSpecies": "Faba bean (Vicia faba)",
|
| 599 |
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"nSpecies": 8
|
| 600 |
+
},
|
| 601 |
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"ece": {
|
| 602 |
+
"mean": 0.1604,
|
| 603 |
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"min": 0.0685,
|
| 604 |
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"max": 0.2511,
|
| 605 |
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"minSpecies": "Potato (Solanum tuberosum)",
|
| 606 |
+
"maxSpecies": "Red rice bran (Oryza sativa)",
|
| 607 |
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"nSpecies": 8
|
| 608 |
}
|
| 609 |
},
|
| 610 |
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|
|
|
| 618 |
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|
| 619 |
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|
| 620 |
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|
| 621 |
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"specificity": 0.8482,
|
| 622 |
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"brier": 0.1208,
|
| 623 |
+
"ece": 0.102
|
| 624 |
},
|
| 625 |
{
|
| 626 |
"species": "Spirulina (Arthrospira platensis)",
|
|
|
|
| 632 |
"f1": 0.8062,
|
| 633 |
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|
| 634 |
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|
| 635 |
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"specificity": 0.7758,
|
| 636 |
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"brier": 0.1477,
|
| 637 |
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"ece": 0.1146
|
| 638 |
},
|
| 639 |
{
|
| 640 |
"species": "Potato (Solanum tuberosum)",
|
|
|
|
| 646 |
"f1": 0.7876,
|
| 647 |
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|
| 648 |
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|
| 649 |
+
"specificity": 0.779,
|
| 650 |
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"brier": 0.1504,
|
| 651 |
+
"ece": 0.0685
|
| 652 |
},
|
| 653 |
{
|
| 654 |
"species": "Soybean (Glycine max)",
|
|
|
|
| 660 |
"f1": 0.7316,
|
| 661 |
"precision": 0.7042,
|
| 662 |
"recall": 0.8162,
|
| 663 |
+
"specificity": 0.7473,
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| 1503 |
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| 1504 |
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| 1505 |
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| 1506 |
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|
| 1512 |
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| 1518 |
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| 1520 |
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| 1533 |
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| 1552 |
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| 1553 |
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| 1554 |
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| 1555 |
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| 1620 |
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| 1621 |
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| 1622 |
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| 1629 |
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| 1635 |
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| 1683 |
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| 1684 |
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| 1697 |
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| 1698 |
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| 1710 |
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| 1711 |
{
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| 1712 |
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|
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| 1725 |
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| 1726 |
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|
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| 1738 |
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| 1739 |
{
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| 1740 |
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|
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| 1746 |
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| 1749 |
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| 1752 |
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| 1753 |
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| 1754 |
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|
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|
| 1758 |
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| 1759 |
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| 1760 |
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| 1761 |
+
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| 1762 |
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| 1763 |
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| 1764 |
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|
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|
| 1825 |
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| 1826 |
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| 1827 |
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|
| 1828 |
+
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| 1829 |
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| 1830 |
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| 1831 |
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| 1832 |
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| 1833 |
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| 1834 |
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| 1835 |
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| 1836 |
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| 1837 |
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| 1838 |
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| 1839 |
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| 1840 |
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|
| 1841 |
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|
| 1842 |
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| 1843 |
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| 1844 |
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| 1845 |
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| 1846 |
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|
| 1854 |
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| 1855 |
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| 1856 |
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| 1857 |
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| 1858 |
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|
| 1859 |
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|
| 1860 |
},
|
| 1861 |
{
|
| 1862 |
"species": "Spirulina (Arthrospira platensis)",
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|
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|
| 1868 |
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|
| 1869 |
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| 1870 |
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|
| 1871 |
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| 1872 |
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| 1873 |
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| 1874 |
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|
| 1875 |
{
|
| 1876 |
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|
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|
| 1882 |
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|
| 1883 |
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| 1884 |
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| 1885 |
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| 1886 |
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| 1887 |
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|
| 1888 |
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|
| 1889 |
{
|
| 1890 |
"species": "Soybean (Glycine max)",
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|
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|
| 1896 |
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|
| 1897 |
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|
| 1898 |
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| 1899 |
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|
| 1900 |
+
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|
| 1901 |
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|
| 1902 |
},
|
| 1903 |
{
|
| 1904 |
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|
|
|
| 1910 |
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|
| 1911 |
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|
| 1912 |
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|
| 1913 |
+
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|
| 1914 |
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| 1915 |
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|
| 1916 |
},
|
| 1917 |
{
|
| 1918 |
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|
|
|
| 1924 |
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|
| 1925 |
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| 1926 |
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|
| 1927 |
+
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| 1928 |
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|
| 1929 |
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|
| 1930 |
},
|
| 1931 |
{
|
| 1932 |
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|
|
|
| 1938 |
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|
| 1939 |
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| 1940 |
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|
| 1941 |
+
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|
| 1942 |
+
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|
| 1943 |
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|
| 1944 |
},
|
| 1945 |
{
|
| 1946 |
"species": "Red rice bran (Oryza sativa)",
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|
|
|
| 1952 |
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|
| 1953 |
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| 1954 |
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| 1955 |
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| 1956 |
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| 1957 |
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| 1958 |
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| 1959 |
],
|
| 1960 |
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|
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|
| 1964 |
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| 1965 |
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| 1966 |
"label": "Random forest \u00b7 Physicochemical",
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| 1967 |
+
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| 1968 |
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| 1969 |
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| 1970 |
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|
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|
| 2031 |
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| 2032 |
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| 2033 |
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|
| 2034 |
+
},
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| 2035 |
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| 2036 |
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| 2037 |
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| 2038 |
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|
| 2039 |
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| 2040 |
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| 2041 |
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| 2042 |
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},
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| 2043 |
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| 2044 |
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| 2045 |
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|
| 2046 |
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|
| 2047 |
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| 2048 |
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| 2049 |
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|
| 2050 |
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| 2051 |
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| 2052 |
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|
| 2060 |
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| 2061 |
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| 2063 |
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| 2064 |
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| 2065 |
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| 2066 |
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| 2067 |
{
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| 2068 |
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|
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|
| 2074 |
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| 2075 |
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| 2076 |
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| 2077 |
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| 2078 |
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| 2079 |
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| 2080 |
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| 2081 |
{
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| 2082 |
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|
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|
| 2088 |
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| 2089 |
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| 2090 |
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| 2091 |
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| 2093 |
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| 2094 |
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| 2095 |
{
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| 2096 |
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|
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|
| 2102 |
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| 2103 |
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| 2107 |
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| 2108 |
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| 2109 |
{
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| 2110 |
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|
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|
| 2116 |
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| 2117 |
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| 2119 |
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| 2120 |
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| 2121 |
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| 2122 |
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| 2123 |
{
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| 2124 |
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|
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|
| 2130 |
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| 2131 |
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| 2135 |
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| 2137 |
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|
| 2144 |
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| 2150 |
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| 2151 |
{
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|
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|
| 2158 |
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| 2165 |
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| 2166 |
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|
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|
| 2170 |
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| 2171 |
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| 2172 |
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|
| 2173 |
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| 2174 |
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| 2176 |
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|
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|
| 2237 |
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| 2239 |
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| 2240 |
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| 2243 |
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| 2246 |
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| 2247 |
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| 2248 |
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| 2249 |
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| 2250 |
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| 2251 |
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| 2252 |
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| 2253 |
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| 2254 |
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| 2257 |
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|
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| 2273 |
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| 2274 |
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|
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| 2287 |
{
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| 2288 |
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|
| 2294 |
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| 2300 |
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| 2301 |
{
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| 2302 |
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|
| 2308 |
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| 2310 |
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|
| 3148 |
"recall": 0.7191,
|
| 3149 |
+
"specificity": 0.73,
|
| 3150 |
+
"brier": 0.2327,
|
| 3151 |
+
"ece": 0.2195
|
| 3152 |
},
|
| 3153 |
{
|
| 3154 |
"species": "wheat",
|
|
|
|
| 3160 |
"f1": 0.7156,
|
| 3161 |
"precision": 0.6822,
|
| 3162 |
"recall": 0.7612,
|
| 3163 |
+
"specificity": 0.6242,
|
| 3164 |
+
"brier": 0.2193,
|
| 3165 |
+
"ece": 0.1475
|
| 3166 |
},
|
| 3167 |
{
|
| 3168 |
"species": "Tetradesmus obliquus (microalga)",
|
|
|
|
| 3174 |
"f1": 0.7004,
|
| 3175 |
"precision": 0.6996,
|
| 3176 |
"recall": 0.7491,
|
| 3177 |
+
"specificity": 0.6011,
|
| 3178 |
+
"brier": 0.2119,
|
| 3179 |
+
"ece": 0.1918
|
| 3180 |
},
|
| 3181 |
{
|
| 3182 |
"species": "Red rice bran (Oryza sativa)",
|
|
|
|
| 3188 |
"f1": 0.6507,
|
| 3189 |
"precision": 0.6505,
|
| 3190 |
"recall": 0.7177,
|
| 3191 |
+
"specificity": 0.4784,
|
| 3192 |
+
"brier": 0.2363,
|
| 3193 |
+
"ece": 0.2012
|
| 3194 |
}
|
| 3195 |
],
|
| 3196 |
"partial": false
|
website/src/data/mockData.ts
CHANGED
|
@@ -179,7 +179,7 @@ export const CLASSIFIER_OPTIONS = [
|
|
| 179 |
]
|
| 180 |
|
| 181 |
export const SPLIT_OPTIONS = [
|
| 182 |
-
{ id: 'protein', label: 'Group by protein', desc: 'Production default
|
| 183 |
{ id: 'cluster90', label: 'Cluster (90% id)', desc: 'MMseqs2 sequence-identity clusters' },
|
| 184 |
{ id: 'cluster50', label: 'Cluster (50% id)', desc: 'Stricter homology grouping' },
|
| 185 |
{ id: 'peptide', label: 'By peptide', desc: 'Leakage baseline (inflates AUROC)' },
|
|
|
|
| 179 |
]
|
| 180 |
|
| 181 |
export const SPLIT_OPTIONS = [
|
| 182 |
+
{ id: 'protein', label: 'Group by protein', desc: 'Production default, avoids peptide leakage' },
|
| 183 |
{ id: 'cluster90', label: 'Cluster (90% id)', desc: 'MMseqs2 sequence-identity clusters' },
|
| 184 |
{ id: 'cluster50', label: 'Cluster (50% id)', desc: 'Stricter homology grouping' },
|
| 185 |
{ id: 'peptide', label: 'By peptide', desc: 'Leakage baseline (inflates AUROC)' },
|
website/src/pages/Benchmarking.tsx
CHANGED
|
@@ -13,7 +13,8 @@ import stats from '../data/generated/cross_model_stats.json'
|
|
| 13 |
const fmt = (v: number | null | undefined) => (v == null ? 'β' : v.toFixed(3))
|
| 14 |
|
| 15 |
// Metric columns shown in the model-type leaderboard (order matters).
|
| 16 |
-
|
|
|
|
| 17 |
|
| 18 |
// βββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββ Model-type leaderboard
|
| 19 |
function TypeLeaderboard() {
|
|
@@ -41,16 +42,15 @@ function TypeLeaderboard() {
|
|
| 41 |
return (
|
| 42 |
<div>
|
| 43 |
<p className="muted" style={{ marginTop: 0 }}>
|
| 44 |
-
Every classifier
|
| 45 |
-
|
| 46 |
-
|
| 47 |
-
Click a row for its description and per-species breakdown.
|
| 48 |
</p>
|
| 49 |
|
| 50 |
<div className="stat-row">
|
| 51 |
<div className="stat">
|
| 52 |
<div className="stat-value">{best.agg.auroc?.mean.toFixed(3)}</div>
|
| 53 |
-
<div className="stat-label">
|
| 54 |
</div>
|
| 55 |
<div className="stat">
|
| 56 |
<div className="stat-value">{LEADERBOARD.nSpecies}</div>
|
|
@@ -78,6 +78,7 @@ function TypeLeaderboard() {
|
|
| 78 |
{METRIC_COLS.map((k) => (
|
| 79 |
<th key={k} className="num">
|
| 80 |
{labels[k]}
|
|
|
|
| 81 |
</th>
|
| 82 |
))}
|
| 83 |
</tr>
|
|
@@ -154,6 +155,8 @@ function TypeDetail({ m }: { m: ModelType }) {
|
|
| 154 |
<th className="num">F1</th>
|
| 155 |
<th className="num">Sens.</th>
|
| 156 |
<th className="num">Spec.</th>
|
|
|
|
|
|
|
| 157 |
</tr>
|
| 158 |
</thead>
|
| 159 |
<tbody>
|
|
@@ -166,6 +169,8 @@ function TypeDetail({ m }: { m: ModelType }) {
|
|
| 166 |
<td className="num">{fmt(s.f1 as number)}</td>
|
| 167 |
<td className="num">{fmt(s.recall as number)}</td>
|
| 168 |
<td className="num">{fmt(s.specificity as number)}</td>
|
|
|
|
|
|
|
| 169 |
</tr>
|
| 170 |
))}
|
| 171 |
</tbody>
|
|
@@ -187,8 +192,8 @@ function IndividualModels() {
|
|
| 187 |
return (
|
| 188 |
<div>
|
| 189 |
<p className="muted" style={{ marginTop: 0 }}>
|
| 190 |
-
The {MODELS.length} deployed
|
| 191 |
-
|
| 192 |
</p>
|
| 193 |
<div className="table-wrap">
|
| 194 |
<table className="table">
|
|
@@ -275,15 +280,14 @@ function Analysis() {
|
|
| 275 |
return (
|
| 276 |
<div>
|
| 277 |
<p className="muted" style={{ marginTop: 0 }}>
|
| 278 |
-
|
| 279 |
-
mean CV ranks). Higher mean rank = better; charts show every treatment on the same scale.
|
| 280 |
</p>
|
| 281 |
|
| 282 |
<div className="grid-2">
|
| 283 |
-
<Card title="Feature set" subtitle={`
|
| 284 |
<RankBars ranks={fs.meanRanks} labelFn={featureSetLabel} best={fs.bestByRank} />
|
| 285 |
<p className="muted" style={{ fontSize: '0.82rem', marginBottom: 0, marginTop: 10 }}>
|
| 286 |
-
Embeddings
|
| 287 |
</p>
|
| 288 |
</Card>
|
| 289 |
|
|
@@ -295,7 +299,7 @@ function Analysis() {
|
|
| 295 |
</Card>
|
| 296 |
</div>
|
| 297 |
|
| 298 |
-
<Card title="Split rigor
|
| 299 |
<div style={{ maxWidth: 560 }}>
|
| 300 |
{tiers.map((t) => {
|
| 301 |
const s = split[t.key]
|
|
@@ -319,8 +323,8 @@ function Analysis() {
|
|
| 319 |
})}
|
| 320 |
</div>
|
| 321 |
<p className="muted" style={{ fontSize: '0.82rem', marginBottom: 0, marginTop: 10 }}>
|
| 322 |
-
|
| 323 |
-
on the <strong>protein split</strong>
|
| 324 |
</p>
|
| 325 |
</Card>
|
| 326 |
|
|
@@ -328,9 +332,10 @@ function Analysis() {
|
|
| 328 |
<p style={{ marginBottom: 6 }}>{neg.method}</p>
|
| 329 |
{neg.seed_spread_ci && (
|
| 330 |
<p className="muted" style={{ margin: 0 }}>
|
| 331 |
-
|
| 332 |
-
{neg.seed_spread_ci.
|
| 333 |
-
|
|
|
|
| 334 |
</p>
|
| 335 |
)}
|
| 336 |
</Card>
|
|
@@ -347,8 +352,8 @@ export default function Benchmarking() {
|
|
| 347 |
<div className="eyebrow">Leaderboards</div>
|
| 348 |
<h1>Benchmarking</h1>
|
| 349 |
<p className="lead">
|
| 350 |
-
|
| 351 |
-
|
| 352 |
</p>
|
| 353 |
</div>
|
| 354 |
|
|
|
|
| 13 |
const fmt = (v: number | null | undefined) => (v == null ? 'β' : v.toFixed(3))
|
| 14 |
|
| 15 |
// Metric columns shown in the model-type leaderboard (order matters).
|
| 16 |
+
// brier + ece are calibration metrics where LOWER is better.
|
| 17 |
+
const METRIC_COLS = ['auprc', 'accuracy', 'mcc', 'f1', 'recall', 'specificity', 'precision', 'brier', 'ece'] as const
|
| 18 |
|
| 19 |
// βββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββ Model-type leaderboard
|
| 20 |
function TypeLeaderboard() {
|
|
|
|
| 42 |
return (
|
| 43 |
<div>
|
| 44 |
<p className="muted" style={{ marginTop: 0 }}>
|
| 45 |
+
Every classifier and feature-set combo, scored on all {LEADERBOARD.nDatasets} datasets and averaged
|
| 46 |
+
across {LEADERBOARD.nSpecies} species. Sorted by <strong>mean AUROC</strong>; the range shows
|
| 47 |
+
weakest to strongest species. Click a row for details.
|
|
|
|
| 48 |
</p>
|
| 49 |
|
| 50 |
<div className="stat-row">
|
| 51 |
<div className="stat">
|
| 52 |
<div className="stat-value">{best.agg.auroc?.mean.toFixed(3)}</div>
|
| 53 |
+
<div className="stat-label">Top model: {best.label}</div>
|
| 54 |
</div>
|
| 55 |
<div className="stat">
|
| 56 |
<div className="stat-value">{LEADERBOARD.nSpecies}</div>
|
|
|
|
| 78 |
{METRIC_COLS.map((k) => (
|
| 79 |
<th key={k} className="num">
|
| 80 |
{labels[k]}
|
| 81 |
+
{(k === 'brier' || k === 'ece') && ' β'}
|
| 82 |
</th>
|
| 83 |
))}
|
| 84 |
</tr>
|
|
|
|
| 155 |
<th className="num">F1</th>
|
| 156 |
<th className="num">Sens.</th>
|
| 157 |
<th className="num">Spec.</th>
|
| 158 |
+
<th className="num">Brier β</th>
|
| 159 |
+
<th className="num">ECE β</th>
|
| 160 |
</tr>
|
| 161 |
</thead>
|
| 162 |
<tbody>
|
|
|
|
| 169 |
<td className="num">{fmt(s.f1 as number)}</td>
|
| 170 |
<td className="num">{fmt(s.recall as number)}</td>
|
| 171 |
<td className="num">{fmt(s.specificity as number)}</td>
|
| 172 |
+
<td className="num">{fmt(s.brier as number)}</td>
|
| 173 |
+
<td className="num">{fmt(s.ece as number)}</td>
|
| 174 |
</tr>
|
| 175 |
))}
|
| 176 |
</tbody>
|
|
|
|
| 192 |
return (
|
| 193 |
<div>
|
| 194 |
<p className="muted" style={{ marginTop: 0 }}>
|
| 195 |
+
The {MODELS.length} deployed models, one per dataset. Each is the winning classifier and feature
|
| 196 |
+
set for that hydrolysate. Click for the paper, config, and caveats.
|
| 197 |
</p>
|
| 198 |
<div className="table-wrap">
|
| 199 |
<table className="table">
|
|
|
|
| 280 |
return (
|
| 281 |
<div>
|
| 282 |
<p className="muted" style={{ marginTop: 0 }}>
|
| 283 |
+
What drives detectability, across {stats.nContexts} datasets. Higher mean rank is better.
|
|
|
|
| 284 |
</p>
|
| 285 |
|
| 286 |
<div className="grid-2">
|
| 287 |
+
<Card title="Feature set" subtitle={`How to represent the peptide Β· Friedman p = ${fs.friedmanP?.toExponential(1)}`}>
|
| 288 |
<RankBars ranks={fs.meanRanks} labelFn={featureSetLabel} best={fs.bestByRank} />
|
| 289 |
<p className="muted" style={{ fontSize: '0.82rem', marginBottom: 0, marginTop: 10 }}>
|
| 290 |
+
Embeddings plus physicochemical features win. Physicochemical alone is weakest.
|
| 291 |
</p>
|
| 292 |
</Card>
|
| 293 |
|
|
|
|
| 299 |
</Card>
|
| 300 |
</div>
|
| 301 |
|
| 302 |
+
<Card title="Split rigor (leakage check)" subtitle="Mean AUROC by how train and test are separated. Whiskers show the 95% CI.">
|
| 303 |
<div style={{ maxWidth: 560 }}>
|
| 304 |
{tiers.map((t) => {
|
| 305 |
const s = split[t.key]
|
|
|
|
| 323 |
})}
|
| 324 |
</div>
|
| 325 |
<p className="muted" style={{ fontSize: '0.82rem', marginBottom: 0, marginTop: 10 }}>
|
| 326 |
+
Splitting by peptide inflates AUROC, because the same protein leaks across train and test.
|
| 327 |
+
HydroPD trains on the <strong>protein split</strong>, so these numbers aren't inflated.
|
| 328 |
</p>
|
| 329 |
</Card>
|
| 330 |
|
|
|
|
| 332 |
<p style={{ marginBottom: 6 }}>{neg.method}</p>
|
| 333 |
{neg.seed_spread_ci && (
|
| 334 |
<p className="muted" style={{ margin: 0 }}>
|
| 335 |
+
Changing the negative-sampling seed moves AUROC by only{' '}
|
| 336 |
+
<strong>{neg.seed_spread_ci.mean.toFixed(2)}</strong> (95% CI{' '}
|
| 337 |
+
{neg.seed_spread_ci.lo.toFixed(2)}β{neg.seed_spread_ci.hi.toFixed(2)}). The choice of random
|
| 338 |
+
negatives barely matters.
|
| 339 |
</p>
|
| 340 |
)}
|
| 341 |
</Card>
|
|
|
|
| 352 |
<div className="eyebrow">Leaderboards</div>
|
| 353 |
<h1>Benchmarking</h1>
|
| 354 |
<p className="lead">
|
| 355 |
+
Compare model types, browse the {MODELS.length} deployed models, and see what drives
|
| 356 |
+
detectability.
|
| 357 |
</p>
|
| 358 |
</div>
|
| 359 |
|
website/src/pages/BioactivityScreening.tsx
CHANGED
|
@@ -72,7 +72,7 @@ const PEPTIDE_COLUMNS: Column<PeptideView>[] = [
|
|
| 72 |
sortable: true,
|
| 73 |
render: (r) =>
|
| 74 |
r.igeContains ? (
|
| 75 |
-
<span className="badge badge-warn" title="
|
| 76 |
contains
|
| 77 |
</span>
|
| 78 |
) : (
|
|
@@ -106,7 +106,7 @@ function LiveBadge({ live }: { live: boolean }) {
|
|
| 106 |
title={
|
| 107 |
live
|
| 108 |
? 'Matched against the HydroPD bioactivity/allergen master database (server-side).'
|
| 109 |
-
: 'Backend unavailable
|
| 110 |
}
|
| 111 |
>
|
| 112 |
{live ? 'Live screening' : 'Offline (backend unavailable)'}
|
|
@@ -196,17 +196,15 @@ export default function BioactivityScreening() {
|
|
| 196 |
<div className="eyebrow">Tool</div>
|
| 197 |
<h1>Bioactivity & Allergen Screening</h1>
|
| 198 |
<p className="lead">
|
| 199 |
-
|
| 200 |
-
|
| 201 |
-
|
| 202 |
-
|
| 203 |
-
<strong>IgE-epitope check is a βcontainsβ match</strong> β the peptide equals or
|
| 204 |
-
fully contains a documented linear epitope.
|
| 205 |
</p>
|
| 206 |
</div>
|
| 207 |
|
| 208 |
{/* Peptide bioactivity + IgE (Q2) */}
|
| 209 |
-
<Card title="1 Β·
|
| 210 |
<SequenceInput
|
| 211 |
label="Peptide sequences"
|
| 212 |
value={pepInput}
|
|
@@ -287,11 +285,11 @@ export default function BioactivityScreening() {
|
|
| 287 |
</Card>
|
| 288 |
|
| 289 |
{/* Protein allergen origin (Q1) */}
|
| 290 |
-
<Card title="2 Β·
|
| 291 |
<p className="muted" style={{ marginTop: 0, fontSize: '0.86rem' }}>
|
| 292 |
-
|
| 293 |
-
|
| 294 |
-
|
| 295 |
</p>
|
| 296 |
<SequenceInput
|
| 297 |
label="Protein sequences"
|
|
|
|
| 72 |
sortable: true,
|
| 73 |
render: (r) =>
|
| 74 |
r.igeContains ? (
|
| 75 |
+
<span className="badge badge-warn" title="Holds a documented linear IgE epitope (IEDB). Potential allergenicity concern.">
|
| 76 |
contains
|
| 77 |
</span>
|
| 78 |
) : (
|
|
|
|
| 106 |
title={
|
| 107 |
live
|
| 108 |
? 'Matched against the HydroPD bioactivity/allergen master database (server-side).'
|
| 109 |
+
: 'Backend unavailable. Screening runs on the server.'
|
| 110 |
}
|
| 111 |
>
|
| 112 |
{live ? 'Live screening' : 'Offline (backend unavailable)'}
|
|
|
|
| 196 |
<div className="eyebrow">Tool</div>
|
| 197 |
<h1>Bioactivity & Allergen Screening</h1>
|
| 198 |
<p className="lead">
|
| 199 |
+
Check sequences against 10 bioactivity databases (~58k peptides) plus IgE epitopes
|
| 200 |
+
and recognized allergens. Bioactivity, cytotoxicity, and allergen origin use{' '}
|
| 201 |
+
<strong>exact matches</strong>. The IgE check uses a <strong>contains match</strong>
|
| 202 |
+
{' '}(the peptide holds a known epitope).
|
|
|
|
|
|
|
| 203 |
</p>
|
| 204 |
</div>
|
| 205 |
|
| 206 |
{/* Peptide bioactivity + IgE (Q2) */}
|
| 207 |
+
<Card title="1 Β· Peptides: bioactivity, cytotoxicity & IgE">
|
| 208 |
<SequenceInput
|
| 209 |
label="Peptide sequences"
|
| 210 |
value={pepInput}
|
|
|
|
| 285 |
</Card>
|
| 286 |
|
| 287 |
{/* Protein allergen origin (Q1) */}
|
| 288 |
+
<Card title="2 Β· Proteins: allergen origin">
|
| 289 |
<p className="muted" style={{ marginTop: 0, fontSize: '0.86rem' }}>
|
| 290 |
+
Allergen origin is a protein-level question, so paste full protein sequences (or FASTA).
|
| 291 |
+
We check for an <strong>exact match</strong> against recognized allergens (WHO/IUIS and
|
| 292 |
+
AllergenOnline).
|
| 293 |
</p>
|
| 294 |
<SequenceInput
|
| 295 |
label="Protein sequences"
|
website/src/pages/Data.tsx
CHANGED
|
@@ -57,7 +57,7 @@ function Computational() {
|
|
| 57 |
<div>
|
| 58 |
<Card
|
| 59 |
title="Download datasets"
|
| 60 |
-
subtitle="Raw peptidomics tables
|
| 61 |
>
|
| 62 |
<DownloadCard
|
| 63 |
title="Raw data bundle (H1βH13)"
|
|
@@ -187,7 +187,7 @@ function Experimentalist() {
|
|
| 187 |
<div>
|
| 188 |
<Card
|
| 189 |
title="What data to generate & retain"
|
| 190 |
-
subtitle="
|
| 191 |
actions={
|
| 192 |
<a
|
| 193 |
className="btn btn-secondary btn-sm"
|
|
@@ -243,7 +243,7 @@ function Experimentalist() {
|
|
| 243 |
|
| 244 |
<Card
|
| 245 |
title="Where new data is most needed"
|
| 246 |
-
subtitle="
|
| 247 |
actions={
|
| 248 |
<div className="segmented" style={{ padding: 2 }}>
|
| 249 |
<button
|
|
@@ -263,10 +263,8 @@ function Experimentalist() {
|
|
| 263 |
</div>
|
| 264 |
}
|
| 265 |
>
|
| 266 |
-
<p style={{ marginTop: 0 }}>
|
| 267 |
-
|
| 268 |
-
peptidomics data β the most useful places to generate new data. Sorted by{' '}
|
| 269 |
-
<strong>{gapSort === 'papers' ? 'fewest papers found' : 'CCM priority'}</strong>.
|
| 270 |
</p>
|
| 271 |
<div className="table-wrap">
|
| 272 |
<table className="table">
|
|
@@ -310,10 +308,8 @@ function Experimentalist() {
|
|
| 310 |
</table>
|
| 311 |
</div>
|
| 312 |
<p className="muted" style={{ fontSize: '0.78rem', marginTop: 10, marginBottom: 0 }}>
|
| 313 |
-
{dataGaps.rawMaterials.filter((r) => r.status === 'none').length} raw
|
| 314 |
-
|
| 315 |
-
(e.g. Canola is <em>not</em> among them β Brassica napus has 1 found paper
|
| 316 |
-
but no usable data yet).
|
| 317 |
</p>
|
| 318 |
</Card>
|
| 319 |
|
|
@@ -394,8 +390,8 @@ export default function Data() {
|
|
| 394 |
<div className="eyebrow">Data</div>
|
| 395 |
<h1>Data</h1>
|
| 396 |
<p className="lead">
|
| 397 |
-
Download the datasets
|
| 398 |
-
|
| 399 |
</p>
|
| 400 |
</div>
|
| 401 |
|
|
|
|
| 57 |
<div>
|
| 58 |
<Card
|
| 59 |
title="Download datasets"
|
| 60 |
+
subtitle="Raw peptidomics tables and the literature workbook."
|
| 61 |
>
|
| 62 |
<DownloadCard
|
| 63 |
title="Raw data bundle (H1βH13)"
|
|
|
|
| 187 |
<div>
|
| 188 |
<Card
|
| 189 |
title="What data to generate & retain"
|
| 190 |
+
subtitle="Making peptidomics data? Capture these fields. Two tiers: MINIMUM to model, IDEAL to report everything."
|
| 191 |
actions={
|
| 192 |
<a
|
| 193 |
className="btn btn-secondary btn-sm"
|
|
|
|
| 243 |
|
| 244 |
<Card
|
| 245 |
title="Where new data is most needed"
|
| 246 |
+
subtitle="Raw materials that lack usable peptidomics data. The best places to generate it."
|
| 247 |
actions={
|
| 248 |
<div className="segmented" style={{ padding: 2 }}>
|
| 249 |
<button
|
|
|
|
| 263 |
</div>
|
| 264 |
}
|
| 265 |
>
|
| 266 |
+
<p className="muted" style={{ marginTop: 0, fontSize: '0.84rem' }}>
|
| 267 |
+
Sorted by <strong>{gapSort === 'papers' ? 'fewest papers found' : 'CCM priority'}</strong>.
|
|
|
|
|
|
|
| 268 |
</p>
|
| 269 |
<div className="table-wrap">
|
| 270 |
<table className="table">
|
|
|
|
| 308 |
</table>
|
| 309 |
</div>
|
| 310 |
<p className="muted" style={{ fontSize: '0.78rem', marginTop: 10, marginBottom: 0 }}>
|
| 311 |
+
{dataGaps.rawMaterials.filter((r) => r.status === 'none').length} raw materials returned{' '}
|
| 312 |
+
<strong>zero papers</strong> in the search.
|
|
|
|
|
|
|
| 313 |
</p>
|
| 314 |
</Card>
|
| 315 |
|
|
|
|
| 390 |
<div className="eyebrow">Data</div>
|
| 391 |
<h1>Data</h1>
|
| 392 |
<p className="lead">
|
| 393 |
+
Download the datasets, browse the literature landscape, and see which data
|
| 394 |
+
gaps are worth filling.
|
| 395 |
</p>
|
| 396 |
</div>
|
| 397 |
|
website/src/pages/DetectabilityPrediction.tsx
CHANGED
|
@@ -41,11 +41,11 @@ const COLUMNS: Column<DetectabilityRow>[] = [
|
|
| 41 |
sortable: true,
|
| 42 |
render: (r) =>
|
| 43 |
r.inTraining === 'positive' ? (
|
| 44 |
-
<span className="badge badge-warn" title="
|
| 45 |
TrainβΊ
|
| 46 |
</span>
|
| 47 |
) : r.inTraining === 'negative' ? (
|
| 48 |
-
<span className="badge badge-warn" title="
|
| 49 |
Trainβ»
|
| 50 |
</span>
|
| 51 |
) : (
|
|
@@ -86,10 +86,8 @@ export default function DetectabilityPrediction() {
|
|
| 86 |
<div className="eyebrow">Tool</div>
|
| 87 |
<h1>Detectability Prediction</h1>
|
| 88 |
<p className="lead">
|
| 89 |
-
Paste
|
| 90 |
-
|
| 91 |
-
best-matched model, and any peptide that was in the model's training set is
|
| 92 |
-
flagged.
|
| 93 |
</p>
|
| 94 |
</div>
|
| 95 |
|
|
@@ -158,7 +156,7 @@ export default function DetectabilityPrediction() {
|
|
| 158 |
title={
|
| 159 |
live
|
| 160 |
? 'Scores computed by the model (server-side inference).'
|
| 161 |
-
: 'Backend unavailable
|
| 162 |
}
|
| 163 |
>
|
| 164 |
{live ? 'Live inference' : 'Offline preview'}
|
|
|
|
| 41 |
sortable: true,
|
| 42 |
render: (r) =>
|
| 43 |
r.inTraining === 'positive' ? (
|
| 44 |
+
<span className="badge badge-warn" title="Detected (positive) example in this model's training set. The score may reflect memorisation.">
|
| 45 |
TrainβΊ
|
| 46 |
</span>
|
| 47 |
) : r.inTraining === 'negative' ? (
|
| 48 |
+
<span className="badge badge-warn" title="Undetected (negative) example in this model's training set. The score may reflect memorisation.">
|
| 49 |
Trainβ»
|
| 50 |
</span>
|
| 51 |
) : (
|
|
|
|
| 86 |
<div className="eyebrow">Tool</div>
|
| 87 |
<h1>Detectability Prediction</h1>
|
| 88 |
<p className="lead">
|
| 89 |
+
Paste peptides and pick a model. Describe your conditions to auto-rank the
|
| 90 |
+
best fit, or choose one yourself. Peptides seen during training are flagged.
|
|
|
|
|
|
|
| 91 |
</p>
|
| 92 |
</div>
|
| 93 |
|
|
|
|
| 156 |
title={
|
| 157 |
live
|
| 158 |
? 'Scores computed by the model (server-side inference).'
|
| 159 |
+
: 'Backend unavailable. Showing illustrative offline scores.'
|
| 160 |
}
|
| 161 |
>
|
| 162 |
{live ? 'Live inference' : 'Offline preview'}
|
website/src/pages/DetectabilityTraining.tsx
CHANGED
|
@@ -63,9 +63,8 @@ export default function DetectabilityTraining() {
|
|
| 63 |
<div className="eyebrow">Tool</div>
|
| 64 |
<h1>Train a Detectability Model</h1>
|
| 65 |
<p className="lead">
|
| 66 |
-
|
| 67 |
-
|
| 68 |
-
detectability model following the HydroPD Step-4 protocol.
|
| 69 |
</p>
|
| 70 |
</div>
|
| 71 |
|
|
@@ -105,7 +104,7 @@ export default function DetectabilityTraining() {
|
|
| 105 |
>
|
| 106 |
{FEATURE_SET_OPTIONS.map((o) => (
|
| 107 |
<option key={o.id} value={o.id}>
|
| 108 |
-
{o.label}
|
| 109 |
</option>
|
| 110 |
))}
|
| 111 |
</select>
|
|
@@ -117,7 +116,7 @@ export default function DetectabilityTraining() {
|
|
| 117 |
>
|
| 118 |
{CLASSIFIER_OPTIONS.map((o) => (
|
| 119 |
<option key={o.id} value={o.id}>
|
| 120 |
-
{o.label}
|
| 121 |
</option>
|
| 122 |
))}
|
| 123 |
</select>
|
|
@@ -129,7 +128,7 @@ export default function DetectabilityTraining() {
|
|
| 129 |
>
|
| 130 |
{SPLIT_OPTIONS.map((o) => (
|
| 131 |
<option key={o.id} value={o.id}>
|
| 132 |
-
{o.label}
|
| 133 |
</option>
|
| 134 |
))}
|
| 135 |
</select>
|
|
@@ -188,8 +187,8 @@ export default function DetectabilityTraining() {
|
|
| 188 |
<>
|
| 189 |
<p className="muted" style={{ fontSize: '0.8rem', marginTop: 0 }}>
|
| 190 |
{live
|
| 191 |
-
? 'β Trained on the
|
| 192 |
-
: 'β Offline preview
|
| 193 |
</p>
|
| 194 |
{errorMsg && (
|
| 195 |
<p
|
|
|
|
| 63 |
<div className="eyebrow">Tool</div>
|
| 64 |
<h1>Train a Detectability Model</h1>
|
| 65 |
<p className="lead">
|
| 66 |
+
Give detected peptides and a species tax ID, pick your specs or use the
|
| 67 |
+
defaults, and train a model. Then download the model and processed data.
|
|
|
|
| 68 |
</p>
|
| 69 |
</div>
|
| 70 |
|
|
|
|
| 104 |
>
|
| 105 |
{FEATURE_SET_OPTIONS.map((o) => (
|
| 106 |
<option key={o.id} value={o.id}>
|
| 107 |
+
{o.label} Β· {o.desc}
|
| 108 |
</option>
|
| 109 |
))}
|
| 110 |
</select>
|
|
|
|
| 116 |
>
|
| 117 |
{CLASSIFIER_OPTIONS.map((o) => (
|
| 118 |
<option key={o.id} value={o.id}>
|
| 119 |
+
{o.label} Β· {o.desc}
|
| 120 |
</option>
|
| 121 |
))}
|
| 122 |
</select>
|
|
|
|
| 128 |
>
|
| 129 |
{SPLIT_OPTIONS.map((o) => (
|
| 130 |
<option key={o.id} value={o.id}>
|
| 131 |
+
{o.label} Β· {o.desc}
|
| 132 |
</option>
|
| 133 |
))}
|
| 134 |
</select>
|
|
|
|
| 187 |
<>
|
| 188 |
<p className="muted" style={{ fontSize: '0.8rem', marginTop: 0 }}>
|
| 189 |
{live
|
| 190 |
+
? 'β Trained on the server. Real pipeline: assign proteins, sample negatives, protein-grouped CV.'
|
| 191 |
+
: 'β Offline preview with illustrative numbers. The training backend is not reachable.'}
|
| 192 |
</p>
|
| 193 |
{errorMsg && (
|
| 194 |
<p
|
website/src/pages/Home.tsx
CHANGED
|
@@ -5,25 +5,31 @@ const TOOLS = [
|
|
| 5 |
to: '/detectability',
|
| 6 |
icon: 'π',
|
| 7 |
title: 'Detectability Prediction',
|
| 8 |
-
desc: 'Score peptides
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 9 |
},
|
| 10 |
{
|
| 11 |
to: '/training',
|
| 12 |
icon: 'π§ͺ',
|
| 13 |
title: 'Train a Model',
|
| 14 |
-
desc: 'Train a
|
| 15 |
},
|
| 16 |
{
|
| 17 |
to: '/benchmarking',
|
| 18 |
icon: 'π',
|
| 19 |
title: 'Benchmarking',
|
| 20 |
-
desc: '
|
| 21 |
},
|
| 22 |
{
|
| 23 |
to: '/data',
|
| 24 |
icon: 'ποΈ',
|
| 25 |
title: 'Data',
|
| 26 |
-
desc: 'Download
|
| 27 |
},
|
| 28 |
]
|
| 29 |
|
|
@@ -36,9 +42,8 @@ export default function Home() {
|
|
| 36 |
</div>
|
| 37 |
<h1>HydroPD</h1>
|
| 38 |
<p>
|
| 39 |
-
|
| 40 |
-
|
| 41 |
-
cell-culture media optimization for cultivated meat.
|
| 42 |
</p>
|
| 43 |
</div>
|
| 44 |
|
|
|
|
| 5 |
to: '/detectability',
|
| 6 |
icon: 'π',
|
| 7 |
title: 'Detectability Prediction',
|
| 8 |
+
desc: 'Score your peptides against one of 30 species-specific models.',
|
| 9 |
+
},
|
| 10 |
+
{
|
| 11 |
+
to: '/bioactivity',
|
| 12 |
+
icon: 'π§¬',
|
| 13 |
+
title: 'Bioactivity Screening',
|
| 14 |
+
desc: 'Check peptides for known bioactivity, cytotoxicity, and allergen origin.',
|
| 15 |
},
|
| 16 |
{
|
| 17 |
to: '/training',
|
| 18 |
icon: 'π§ͺ',
|
| 19 |
title: 'Train a Model',
|
| 20 |
+
desc: 'Train a model on your own peptides and species, then download it.',
|
| 21 |
},
|
| 22 |
{
|
| 23 |
to: '/benchmarking',
|
| 24 |
icon: 'π',
|
| 25 |
title: 'Benchmarking',
|
| 26 |
+
desc: 'Compare model types and see what drives performance.',
|
| 27 |
},
|
| 28 |
{
|
| 29 |
to: '/data',
|
| 30 |
icon: 'ποΈ',
|
| 31 |
title: 'Data',
|
| 32 |
+
desc: 'Download datasets, browse the literature landscape, and find gaps to fill.',
|
| 33 |
},
|
| 34 |
]
|
| 35 |
|
|
|
|
| 42 |
</div>
|
| 43 |
<h1>HydroPD</h1>
|
| 44 |
<p>
|
| 45 |
+
Predict which peptides show up in LC-MS/MS. Built for non-animal protein
|
| 46 |
+
hydrolysates used in cultivated-meat media.
|
|
|
|
| 47 |
</p>
|
| 48 |
</div>
|
| 49 |
|