# Deps for the chemprop training image. The Dockerfile passes the PyTorch
# cu130 index URL to pip; torch + chemprop come from there, everything else
# (incl. shap and the workbench python libs) falls back to pypi via
# --extra-index-url.
# Names only — versions are pinned by repo-root constraints.txt.
boto3
botocore
awswrangler
requests
pandas
scikit-learn
joblib
rdkit
pyyaml
torch
chemprop
shap
