| name: defog | |
| channels: | |
| - conda-forge | |
| - nvidia | |
| - pytorch | |
| dependencies: | |
| - python=3.9 | |
| - rdkit=2023.03.2 | |
| - graph-tool=2.45 | |
| - pytorch==2.4.0 | |
| - pytorch-cuda=12.1 | |
| - psi4=1.9.1 | |
| - pip=24.2 | |
| - pip: | |
| - ipykernel==6.29.5 | |
| - hydra-core==1.3.2 | |
| - imageio==2.31.1 | |
| - matplotlib==3.7.1 | |
| - networkx==2.8.7 | |
| - numpy==1.23 | |
| - omegaconf==2.3.0 | |
| - overrides==7.3.1 | |
| - pandas==1.4 | |
| - pyemd==1.0.0 | |
| - PyGSP==0.5.1 | |
| - pytorch_lightning==2.0.4 | |
| - scipy==1.11.0 | |
| - setuptools==68.0.0 | |
| - torch_geometric==2.3.1 | |
| - torchmetrics==0.11.4 | |
| - tqdm==4.65.0 | |
| - wandb==0.15.4 | |
| - seaborn==0.13.2 | |
| - gpustat==0.6.0 | |
| - black==24.3.0 | |
| - -e . | |