swhitfield commited on
Commit
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1 Parent(s): 37925cf

Add sourced InterPro annotation datasets

Browse files
README.md CHANGED
@@ -12,7 +12,7 @@ recovery of curated InterPro classifications, not an experimental assay result.
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  - InterPro metadata: `https://ftp.ebi.ac.uk/pub/databases/interpro/current_release/entry.list`
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  - UniProt REST API: `https://rest.uniprot.org/uniprotkb/stream`
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- - Card generated (UTC): `2026-10-05`
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  - Organism Taxonomy ID: `9606` (`all` = all organisms).
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  - Review status: `reviewed` (`reviewed` = Swiss-Prot, `unreviewed` = TrEMBL, `all` = both).
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  - UniProt query: `(organism_id:9606) AND (reviewed:true)`
@@ -21,41 +21,49 @@ recovery of curated InterPro classifications, not an experimental assay result.
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  - Consider entries observed in at least 5 proteins.
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  - After splitting, retain entries with at least 20
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  positives in training, 3 in validation,
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- and 3 in test.
 
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  - `targets` is a multi-hot vector ordered by InterPro accession. Accession,
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  display name, and type are recorded in `label_vocabulary.json`.
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- - Proteins without a retained entry before splitting are dropped; after
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- support filtering, other split variants may contain all-zero targets.
 
29
 
30
  ## Splits
31
 
32
- Whole MMseqs2 `easy-linclust` clusters are assigned to splits targeting
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- `{'train': 0.8, 'validation': 0.1, 'test': 0.1}`, with minimum identity
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- `0.3`, minimum coverage
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- `0.8`, and
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- `1` thread(s). Seed: `1957723`.
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- When `create_split_subsets` is enabled, pooled random, stratified, and
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- hold-cluster-out subsets are also included. Hold-cluster-out subsets require
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- enough MMseqs clusters to populate all three roles.
 
 
 
 
 
 
40
  The optional maximum sequence length is `None` and is
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  applied before vocabulary construction and MMseqs2 clustering.
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43
  ## Split sizes
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45
- - `test`: 156 rows
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- - `test_cluster`: 156 rows
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- - `test_random`: 156 rows
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- - `test_stratified`: 156 rows
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- - `train`: 1251 rows
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- - `train_cluster`: 1251 rows
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- - `train_random`: 1251 rows
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- - `train_stratified`: 1251 rows
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- - `validation`: 156 rows
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- - `validation_cluster`: 156 rows
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- - `validation_random`: 156 rows
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- - `validation_stratified`: 156 rows
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-
58
- Vocabulary size: 9.
59
 
60
  ## Dataset statistics
61
 
 
12
 
13
  - InterPro metadata: `https://ftp.ebi.ac.uk/pub/databases/interpro/current_release/entry.list`
14
  - UniProt REST API: `https://rest.uniprot.org/uniprotkb/stream`
15
+ - Card generated (UTC): `2026-10-07`
16
  - Organism Taxonomy ID: `9606` (`all` = all organisms).
17
  - Review status: `reviewed` (`reviewed` = Swiss-Prot, `unreviewed` = TrEMBL, `all` = both).
18
  - UniProt query: `(organism_id:9606) AND (reviewed:true)`
 
21
  - Consider entries observed in at least 5 proteins.
22
  - After splitting, retain entries with at least 20
23
  positives in training, 3 in validation,
24
+ and 3 in test. Because validation and test
25
+ support select the entries, scores are conditional on that label selection.
26
  - `targets` is a multi-hot vector ordered by InterPro accession. Accession,
27
  display name, and type are recorded in `label_vocabulary.json`.
28
+ - Proteins without a retained entry are dropped, both before splitting and
29
+ again after split-support filtering, so no row has all-zero targets.
30
+ - `id` is the UniProtKB accession of the first entry carrying each unique sequence.
31
 
32
  ## Splits
33
 
34
+ Whole MMseqs2 clusters are assigned to splits targeting
35
+ `{'train': 0.8, 'validation': 0.1, 'test': 0.1}`. Seed: `1957723`. Clustering settings:
36
+
37
+ - MMseqs workflow: `easy-cluster`
38
+ - Minimum sequence identity (`--min-seq-id`): `0.3`
39
+ - Minimum coverage (`-c`): `0.8`
40
+ - Coverage mode (`--cov-mode`): `1`
41
+ - Threads: `1`
42
+ - Other MMseqs2 options use MMseqs2 defaults.
43
+
44
+ When `create_split_subsets` is enabled, pooled random, stratified (by each
45
+ protein's globally rarest positive entry), and hold-cluster-out subsets are
46
+ also included. Hold-cluster-out subsets require enough MMseqs clusters to
47
+ populate all three roles.
48
  The optional maximum sequence length is `None` and is
49
  applied before vocabulary construction and MMseqs2 clustering.
50
 
51
  ## Split sizes
52
 
53
+ - `test`: 116 rows
54
+ - `test_cluster`: 116 rows
55
+ - `test_random`: 116 rows
56
+ - `test_stratified`: 116 rows
57
+ - `train`: 850 rows
58
+ - `train_cluster`: 850 rows
59
+ - `train_random`: 850 rows
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+ - `train_stratified`: 850 rows
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+ - `validation`: 118 rows
62
+ - `validation_cluster`: 118 rows
63
+ - `validation_random`: 118 rows
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+ - `validation_stratified`: 118 rows
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+
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+ Vocabulary size: 10.
67
 
68
  ## Dataset statistics
69
 
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@@ -2,16 +2,6 @@
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  "dataset_name": "interpro_repeat",
3
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  "labels": [
5
- {
6
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7
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12
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13
- "entry_type": "Repeat"
14
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15
  {
16
  "accession": "IPR001611",
17
  "name": "Leucine-rich repeat",
@@ -27,6 +17,11 @@
27
  "name": "Ankyrin repeat",
28
  "entry_type": "Repeat"
29
  },
 
 
 
 
 
30
  {
31
  "accession": "IPR003591",
32
  "name": "Leucine-rich repeat, typical subtype",
@@ -37,6 +32,16 @@
37
  "name": "Collagen triple helix repeat",
38
  "entry_type": "Repeat"
39
  },
 
 
 
 
 
 
 
 
 
 
40
  {
41
  "accession": "IPR019734",
42
  "name": "Tetratricopeptide repeat",
 
2
  "dataset_name": "interpro_repeat",
3
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  "labels": [
 
 
 
 
 
 
 
 
 
 
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7
  "name": "Leucine-rich repeat",
 
17
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18
  "entry_type": "Repeat"
19
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  "name": "Leucine-rich repeat, typical subtype",
 
32
  "name": "Collagen triple helix repeat",
33
  "entry_type": "Repeat"
34
  },
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  {
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  "accession": "IPR019734",
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  "name": "Tetratricopeptide repeat",
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@@ -24,184 +25,184 @@
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