| name: diffsbdd | |
| channels: | |
| - pyg | |
| - pytorch | |
| - nvidia | |
| - anaconda | |
| - conda-forge | |
| - defaults | |
| dependencies: | |
| - python=3.10.4 | |
| - pip=24.2 | |
| - pytorch=2.0.1=*cuda11.8* | |
| - cudatoolkit=11.8 | |
| - pytorch-lightning=1.8.4 | |
| - wandb=0.13.1 | |
| - rdkit=2022.03.2 | |
| - biopython=1.79 | |
| - imageio=2.21.2 | |
| - scipy=1.13.1 | |
| - pytorch-scatter=2.1.2 | |
| - networkx=3.3 | |
| - numpy=1.26.4 | |
| - openbabel=3.1.1 | |
| - pandas=2.2.2 | |
| - seaborn=0.13.2 | |
| - torchmetrics=1.4.2 | |
| - tqdm=4.66.5 | |
| - yaml=0.2.5 | |
| - protobuf=3.20.* | |