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chromophore-spectral-predictor

Tabular Regression

molecular-property-prediction

message-passing-neural-network

Model card Files Files and versions

chromophore-spectral-predictor

4.67 MB

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1 contributor

History: 2 commits

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.gitattributes

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initial commit 17 days ago
README.md

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best.pt
Detected Pickle imports (12)
- "torch.FloatStorage",
- "__builtin__.set",
- "torch.nn.modules.linear.Identity",
- "collections.OrderedDict",
- "chemprop.nn.message_passing.multi.MulticomponentMessagePassing",
- "chemprop.nn.transforms.UnscaleTransform",
- "chemprop.nn.predictors.RegressionFFN",
- "chemprop.nn.message_passing.base.BondMessagePassing",
- "chemprop.nn.transforms.GraphTransform",
- "chemprop.nn.agg.NormAggregation",
- "torch.nn.modules.activation.ReLU",
- "torch._utils._rebuild_tensor_v2"
How to fix it?
4.37 MB
xet

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test_predictions.csv

291 kB
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