Fix ci - Githubissues

AstraZeneca / chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

https://chemicalx.readthedocs.io

Apache License 2.0

708 stars 87 forks source link

Closed kajocina closed 1 year ago

kajocina commented 1 year ago

renamed whitelist to allowlist in tox.ini as required by the tox package
added python_requires to setup.py (now required)
fixed a torchdrug 0.1.2's rdkit dependency to max 2021.9.5.1, newer rdkit installed by torchdrug 0.1.2 breaks some models