- Public release
- Added a notebook for plotting expanded DockGen benchmark results
- Added support for scoring relaxed-protein predictions
- Fixed runtime error for relaxed-protein energy minimization
- Fixed runtime error for compute benchmarking RoseTTAFold-All-Atom predictions
- Added P2Rank as a new binding site prediction method available to use with AutoDock-Vina
- Added OpenJDK to the
MULTICOM_ligandConda environment to enable P2Rank inference - Added a script to benchmark the required compute resources for each baseline method
- Updated citation
- Corrected directory navigation instructions (i.e.,
cdreferences) inREADME.mdto reflect the directory structure of each Zenodo archive file - Corrected Biopython, NumPy, and ProDy versions in the DiffDock Conda environment to avoid GCC compilation errors
- First release