| name: chemCPA | |
| channels: | |
| - pytorch | |
| - defaults | |
| - conda-forge | |
| dependencies: | |
| - python=3.9 | |
| - adjusttext | |
| - matplotlib | |
| - numpy | |
| - pandas | |
| - scanpy | |
| - scipy | |
| - seaborn | |
| - scikit-learn | |
| - submitit | |
| - jupyter | |
| - jupytext | |
| - pytorch::pytorch=1.12.1 | |
| - cudatoolkit=11.3 | |
| - lightning | |
| - torchmetrics | |
| - h5py | |
| - dglteam::dgl-cuda11.3 | |
| - deepchem | |
| - rdkit=2021.09.2 | |
| - pytest | |
| - pre-commit | |
| - seml | |
| - py-spy | |
| - fastparquet | |
| - wandb | |
| - hydra-core | |
| # UMAP | |
| - umap-learn | |
| - datashader | |
| - bokeh | |
| - holoviews | |
| - colorcet | |
| - scikit-image | |
| - pip | |
| - pip: | |
| - pyarrow | |
| - tensorflow | |
| - dgllife | |
| - scgen | |
| - wandb |