| # 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. |
|
|
