requirements.txt

# 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.