| name: portable-rdock-pipeline | |
| channels: | |
| - conda-forge | |
| - bioconda | |
| dependencies: | |
| - python=3.11 | |
| - numpy | |
| - pandas | |
| - scipy | |
| - scikit-learn | |
| - matplotlib | |
| - pyyaml | |
| - tqdm | |
| - joblib | |
| - biopython | |
| - pytest | |
| - requests | |
| - rdkit | |
| - openbabel | |
| - plip | |
| name: portable-rdock-pipeline | |
| channels: | |
| - conda-forge | |
| - bioconda | |
| dependencies: | |
| - python=3.11 | |
| - numpy | |
| - pandas | |
| - scipy | |
| - scikit-learn | |
| - matplotlib | |
| - pyyaml | |
| - tqdm | |
| - joblib | |
| - biopython | |
| - pytest | |
| - requests | |
| - rdkit | |
| - openbabel | |
| - plip | |