MORLD
Molecule Optimization by Reinforcement Learning and Docking
Molecule Optimization by Reinforcement Learning and Docking
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://github.com/wsjeon92/morld
Paper: Jeon, W., Kim, D. Autonomous molecule generation using reinforcement learning and docking to develop potential novel inhibitors. Sci Rep 10, 22104 (2020).
MORLD ver. 0.2.8 (updated 2023-09-01)
Copyright 2020 Woosung Jeon and Dongsup Kim
Licensed under the Apache License, Version 2.0 (the "License");
you may not use this file except in compliance with the License.
You may obtain a copy of the License at
http://www.apache.org/licenses/LICENSE-2.0
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