| name: openbind-docking | |
| channels: | |
| - conda-forge | |
| - bioconda | |
| dependencies: | |
| - python=3.12 | |
| - pandas=2.3.3 | |
| - scikit-learn=1.8.0 | |
| - mdanalysis=2.10.0 | |
| - rdkit=2025.03.6 | |
| - openmm=8.5.1 | |
| - pdbfixer=1.12 | |
| - openbabel=3.1.1 | |
| - prody=2.6.1 | |
| - openstructure=2.11.1 | |
| - tqdm=4.67.3 | |
| - pymol-open-source=3.1.0 | |
| - pip | |
| - pip: | |
| - pyarrow==24.0.0 | |
| - pyyaml==6.0.3 | |
| - posebusters==0.6.5 |