Datasets:
File size: 1,447 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 30 | ---
pretty_name: AlphaEnzyme data
tags:
- enzyme
- protein
- biology
---
# AlphaEnzyme data
Released input tables and supporting assets for the AlphaEnzyme specificity, kinetics, and mutation tasks. The corresponding code is available in the [`liuyong` branch of the AlphaEnzyme repository](https://github.com/yliust/AlphaEnzyme/tree/liuyong). Model checkpoints are published separately at [GENTEL-Lab/AlphaEnzyme](https://huggingface.co/GENTEL-Lab/AlphaEnzyme).
## Contents
- `inputs/specificity/`: training, validation, and evaluation tables; reference banks and reaction fingerprints.
- `inputs/kinetics/`: training, validation, and test tables; row-level auxiliary data, normalization statistics, and descriptor banks.
- `inputs/mutation/`: variant tables, fold definitions, fold row/index files, normalization files, and component inputs.
- `inputs/CONTRACT.json`: machine-readable file layout.
- `inputs/README.md`: detailed directory instructions.
Download into the AlphaEnzyme project root:
```bash
hf download GENTEL-Lab/AlphaEnzyme-data --type dataset --local-dir data
```
This recreates `data/inputs/`. Large per-pair Pairformer/ESMC feature caches are not included; see `docs/NEW_DATA.md` in the code repository for feature-generation commands. The repository contains task input files, not a single table directly loadable by the Hugging Face `datasets` library.
`SHA256SUMS` records the SHA-256 digest of each released file.
|