Fix: Use autodock-vina 1.1.2 from bioconda, add prody and numpy<2.0 deps 27491d1 hemantn commited on 19 days ago
Docker: use Miniforge instead of Miniconda to fix Anaconda ToS CI failures 1c8d468 hemantn commited on 19 days ago
Sync with development: Dockerfile (meeko, vina, openbabel, PYTHONPATH), amberflow package, .gitignore. Exclude Test/ (binary .ncrst not allowed on HF Hub). cde5d27 hemantn commited on 19 days ago