conda create -n graphgps python=3.10
conda activate graphgps

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

# RDKit is required for OGB-LSC PCQM4Mv2 and datasets derived from it.  
conda install openbabel fsspec rdkit -c conda-forge

pip install pytorch-lightning yacs torchmetrics
pip install performer-pytorch
pip install tensorboardX
pip install ogb
pip install wandb

conda clean --all