Uni-Motif Python environment setup with Conda conda create -n molgraph python=3.10 conda activate molgraph conda install pytorch=1.13 torchvision torchaudio pytorch-cuda=11.7 -c pytorch -c nvidia conda install pyg=2.2 -c pyg -c conda-forge pip install pyg-lib -f https://data.pyg.org/whl/torch-1.13.0+cu117.html conda install fsspec rdkit -c conda-forge pip install yacs tensorboardX pip install ogb pip install wandb conda clean --all Running conda activate molgraph # Running with RWSE and tuned hyperparameters for ZINC. Coming soon ### W&B logging Set wandb.use False.