Gyoung Jin Park, Youngbin Cho, Minji Suh, Sunyoung Kwon
conda create -n mail python=3.12 -y
conda activate mail
pip3 install torch 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
pip install tensorflow transformers rdkit deepchem py3Dmol
pip install matplotlib tqdm tabulate jupyterPlease submit a GitHub issue or contact me rudwls2717@pusan.ac.kr
Thank you for our Laboratory.
If you find this code useful, please consider citing our work.
