Datasets:
File size: 1,228 Bytes
58b1ecb | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 | # AlphaEnzyme raw data
This archive contains the raw tables and the small released input assets used
by the three tasks: specificity reference banks, reaction fingerprints,
kinetics descriptor banks and the eight mutation fold-normalization files.
Unpack into `data/` so that the paths are:
```text
data/inputs/specificity/tables/{train,valid}.csv
data/inputs/specificity/eval/eval.csv
data/inputs/specificity/features/reference/positive_context.npz
data/inputs/specificity/features/reference/positive_protein_pocket.npz
data/inputs/specificity/features/drfp/reaction_fingerprints.pkl
data/inputs/kinetics/{train,valid,test}.csv
data/inputs/mutation/{variants,references,proteingym_rows}.csv
data/inputs/mutation/{folds,protocol}.json
data/inputs/mutation/component_inputs_unlabelled.csv
data/inputs/mutation/inputs/rows.csv
data/inputs/mutation/inputs/fold_*_{train,valid,test}_{rows,indices}.*
data/inputs/mutation/features/fold_*_normalization.npz
```
The large per-pair Pairformer/ESMC feature caches are not included. The mutation
`inputs/` directory contains the released fold row tables and index arrays. See
`docs/NEW_DATA.md` for the feature-generation commands.
`CONTRACT.json` lists the machine-readable layout.
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