MORLD

Molecule Optimization by Reinforcement Learning and Docking

About MORLD,

MORLD is a molecule optimization method based on reinforcement learning and docking.

Using MORLD,

You can generate molecules having high predicted binding affinities against the target protein.

Github Repository: https://gitbub.com/wsjeon92/morld

Paper: Jeon, W., Kim, D. Autonomous molecule generation using reinforement learning and docking to develop potential novel inhibitors. Sci Rep 10, 22104(2020).