Installation

Python environment setup with Conda

conda create -n opengt python=3.10
conda activate opengt

pip install torch==2.5 torchvision torchaudio --index-url https://download.pytorch.org/whl/cu124

pip install torch_geometric

pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.5.0+cu124.html

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

pip install pytorch-lightning yacs torchmetrics
pip install performer-pytorch
pip install tensorboardX
pip install ogb
pip install wandb
pip install pymetis
pip install opt-einsum

conda clean --all