Datasets:
| name: as_dock | |
| channels: | |
| - pytorch | |
| - nvidia | |
| - conda-forge | |
| - dglteam | |
| - defaults | |
| dependencies: | |
| - python=3.10 | |
| - pip | |
| - numpy | |
| - pandas | |
| - scipy | |
| - scikit-learn | |
| - matplotlib | |
| - seaborn | |
| - pyyaml | |
| - tqdm | |
| - requests | |
| - networkx | |
| - tabulate | |
| - psutil | |
| - yacs | |
| - statsmodels | |
| - biopython | |
| - rdkit | |
| - pytorch | |
| - pytorch-cuda=12.4 | |
| - pytorch-geometric=2.6.1 | |
| - dgl=2.1.0 | |
| - fvcore | |
| - iopath | |
| - pip: | |
| - pytorch-lightning>=2.2 | |
| - torchmetrics | |
| - tensorboard | |
| - pathlib2 | |