| name: methano_env | |
| channels: | |
| - conda-forge | |
| - bioconda | |
| - defaults | |
| dependencies: | |
| - python=3.8 | |
| - ipykernel | |
| - scikit-learn | |
| - pytorch | |
| - seaborn | |
| - rdkit | |
| - pytorch_geometric | |
| - transformers | |
| - plotly | |
| - numpy | |
| - pandas | |
| - libgfortran5 | |
| - openblas | |
| - openbabel | |
| - xtb | |
| - conda-forge::crest | |
| prefix: /opt/anaconda3/envs/methano_env | |