diff --git a/README.md b/README.md index 12c82246..80444036 100644 --- a/README.md +++ b/README.md @@ -17,12 +17,13 @@ mamba install tblite-python -c conda-forge # Update pip python -m pip install --upgrade pip # Install PyTorch family -python -m pip install torch torchvision torchaudio +python -m pip install torch==2.0.1+cu117 --extra-index-url https://download.pytorch.org/whl/cu117 python -m pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.0.0+cu117.html # Install DGL (see https://www.dgl.ai/pages/start.html) python -m pip install dgl -f https://data.dgl.ai/wheels/cu117/repo.html # Requirements to run -python -m pip install numpy pandas hydra-core tqdm torchtyping six xtb scikit-learn torchani pytorch3d rdkit wurlitzer wandb matplotlib dgllife ultranest +python -m pip install numpy pandas hydra-core tqdm torchtyping six xtb scikit-learn torchani==2.2.3 rdkit wurlitzer wandb matplotlib dgllife ultranest +python -m pip install -U --no-deps pytorch3d==0.3.0 ``` ## Training