metadata
license: other
license_name: enzymecage-research-license
license_link: https://huggingface.co/GENTEL-Lab/EnzymeCAGE/blob/main/LICENSE
tags:
- enzyme-retrieval
- geometric-deep-learning
- protein
EnzymeCAGE pretrained checkpoints
Pretrained epoch 19 checkpoints for EnzymeCAGE, A Geometric Foundation Model for Enzyme Retrieval with Evolutionary Insights (Nature Catalysis, 2026). These are PyTorch state dictionaries for the repository's model code, with seeds 40–44 under pretrain/. The repository's demo and evaluation configs use pretrain/seed_42/epoch_19.pth.
Download and run
From the EnzymeCAGE repository root:
pip install -U huggingface_hub
hf download GENTEL-Lab/EnzymeCAGE pretrain/seed_42/epoch_19.pth --local-dir checkpoints
python infer.py --config config/demo/infer.yaml
To download all five seeds instead:
hf download GENTEL-Lab/EnzymeCAGE --include "pretrain/*/epoch_19.pth" --local-dir checkpoints
The dataset and generated features needed for inference are described in the GitHub README. A file list with sizes and SHA-256 checksums is in checkpoint_manifest.json. The original checkpoints.zip is also linked from the GitHub README.
License
See LICENSE for the full terms, including restrictions on commercial use and drug development or discovery.