Molscore

This version was the version associated with "MolScore: A scoring and evaluation framework for de novo drug design. chemRxiv (2023)".

For more up-to-date code pull from the develop branch.

This version was used in "Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation".

For more up-to-date code pull from the develop branch.

Code used in 'Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study'.

For more up-to-date code, pull from the develop branch.