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=2.5.2 -c pyg -c conda-forge
pip install pyg-lib -f https://data.pyg.org/whl/torch-1.13.0+cu117.html
conda install openbabel fsspec rdkit -c conda-forge
conda install https://anaconda.org/conda-forge/pytorch-lightning/2.2.0.post0/download/noarch/pytorch-lightning-2.2.0.post0-pyhd8ed1ab_0.conda
conda install lightning-utilities=0.11.3.post0
conda install yacs=0.1.8
conda install torchmetrics=1.3.1
conda install performer-pytorch=1.1.4
conda install tensorboardX=2.6.2.2
conda install ogb=1.3.6
conda install wandb
conda install networkx=3.3
pip install torch_scatter==2.1.1 -f https://data.pyg.org/whl/torch-1.13.0%2Bcu117.html
pip install notebook
pip install ipykernel
python -m ipykernel install --user --name graphgps --display-name "graphgps"
