| #install | |
| conda create -n druggpt python=3.7 | |
| conda activate druggpt | |
| pip install datasets | |
| pip3 install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cu117 | |
| pip install transformers | |
| pip install scipy scikit-learn | |
| conda install -c openbabel openbabel | |