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.

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