| # Direct dependencies of this package, pinned to the versions the shipped | |
| # checkpoint was trained under. Install torch first, matched to your CUDA build: | |
| # https://pytorch.org | |
| # | |
| # Reference environment: Python 3.10.20, torch 2.12.1+cu130 (CUDA 13.0). | |
| torch==2.12.1 | |
| numpy==2.0.2 | |
| PyYAML==6.0.3 | |
| # Strict SMILES construction and validation of stapled products. | |
| rdkit==2026.3.5 | |
| # Loads the frozen ESM2-650M sequence-context model. Weights are not bundled; | |
| # see README.md section 4. | |
| transformers==4.46.0 | |
| # Not listed here on purpose: the PeptiVerse property oracles are an external | |
| # dependency that brings its own requirements (scikit-learn, XGBoost, MAPIE, | |
| # pandas, joblib). Nothing in this package imports them directly, so install | |
| # them from the PeptiVerse distribution instead. See README.md section 4. | |