Software

See the table below for our open-source software offerings.

For the most current listing of NREL-developed open-source software, see U.S. Department of Energy Office of Scientific and Technical Information's DOE CODE database.

Commercial Licensing

Explore more than 250 copyrighted software tools available for licensing via the Department of Energy's Lab Partnering Service.

rlmolecule: A Library for General-Purpose Material and Molecular Optimization Using AlphaZero-Style Reinforcement Learning

Dec 16, 2020, 17:00 PM

This library includes code for the optimization of materials and molecules using reinforcement learning. This project seeks to develop a generalized machine learning approach for optimizing targeted, and often complex, functional properties over the space of possible material structures, allowing faster identification of promising candidates.

Title : rlmolecule: A Library for General-Purpose Material and Molecular Optimization Using AlphaZero-Style Reinforcement Learning

Url : https://github.com/NREL/rlmolecule

Software Id : 49523

Categories :

Computational Science
Python
Software Categories