# Workbench inference image — pytorch_chem flavor (PyTorch / ChemProp models).
# Bare `workbench` (no extras) — chemprop endpoints don't import xgboost or
# mordred at runtime. If a future chemprop inference path needs them, switch
# this to `workbench[modeling]`.
# `workbench-bridges==0.2.10` is retained for backward compatibility with
# existing deployed-endpoint model bundles; drop in a future image rev once
# no production endpoint references workbench_bridges.

# PyTorch with CUDA 13.0 index (works on both CPU and GPU instances)
--index-url https://download.pytorch.org/whl/cu130
--extra-index-url https://pypi.org/simple/
torch==2.11.0

workbench>=0.8.339
workbench-bridges==0.2.10

# Framework-specific
chemprop==2.2.2

# Inference server
fastapi==0.135.2
uvicorn==0.42.0
