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Update and rename cuda113.yml to cuda118.yml
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,51 @@ | ||
| channels: | ||
| - pytorch | ||
| - nvidia | ||
| - conda-forge | ||
| dependencies: | ||
| # Number | ||
| - numpy | ||
| - scipy | ||
| - pandas | ||
|
|
||
| # Mol/Crystall | ||
| - pymatgen | ||
| - ase | ||
| - rdkit | ||
| - matminer | ||
| - matid | ||
|
|
||
| # Plotting | ||
| - seaborn | ||
| - matplotlib | ||
| - plotly | ||
|
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||
| # Machine larning | ||
| - scikit-learn | ||
| - imbalanced-learn | ||
| - optuna | ||
| - umap-learn | ||
| - pytorch >=2.0.0,<3.0.0 | ||
| - pytorch-cuda=11.8 | ||
| - torchvision | ||
| - torchaudio | ||
| - transformers | ||
| - diffusers | ||
|
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||
| # Others | ||
| - nodejs | ||
| - jupyterlab | ||
| - jupyterlab-lsp | ||
| - python-lsp-server | ||
| - shapely | ||
| - requests | ||
| - ruamel.yaml | ||
| - joblib | ||
| - tqdm | ||
| - Deprecated | ||
| - fsspec | ||
| - emmet-core | ||
| - peewee | ||
| - pip | ||
| - pip: | ||
| - xenonpy |