pyg incompatible with rdkit version 2023

[nichrun]

When setting up the environment with conda, pyg can not be installed. To solve this, when setting up the environment specify the RDKit version:

conda create -c conda-forge -n MoleculeDiffusion rdkit=2022.03.5 python=3.9

Alternatively @cvignac it might be worth adding an environment.yml so we can directly install the same package versions you are using.

[cvignac]

Thank you for the suggestion, I have updated the requirements with precise package versions. Please tell me if you still experience issues.