a-abdoman's Stars
a-abdoman/BAT.py
The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy calculations on protein-ligand systems.
jules-leguy/EvoMol
Evolutionary algorithm for molecular properties optimization
The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy calculations on protein-ligand systems.
Evolutionary algorithm for molecular properties optimization