- package now includes option to predict pkd for one protein-ligand complex from pdb and mol2 files
1.3.1
- slight modifications to variable names and code structure to make simpler and easier to interpret
1.3
- optimized source code for HACNet Python package
1.2
- tutorial notebooks demonstrating training and testing procedures - link to all parameter files and train-test files - lists of PDB IDs associated with each train-test split - low-level cleaning of source code
1.1
- Source code is optimized for speed, further commented, and organized in a simpler and more generalizable way - 3D-CNN model contains a helper module for reshaping tensors - GCN model code is much more straightforward - test function can be applied to model subcomponents or hybrid model