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NREL / rlmolecule

A reinforcement learning library for material and molecule optimization
BSD 3-Clause "New" or "Revised" License
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Documentation #107

Open rohanvarm opened 2 years ago

rohanvarm commented 2 years ago

Hi, is there detailed documentation yet?

pstjohn commented 2 years ago

Hi @rohanvarm, thanks for the interest! Unfortunately not yet. We're refactoring this project to use ray's rllib module to handle the reinforcement learning, so this package can focus on just documenting the molecular action space and GNN policy model.

The base package (for generic graph search with RL) is in progress here: https://github.com/NREL/graph-env/

The in-progress code for this package that leverages that repository is in this branch: https://github.com/NREL/rlmolecule/tree/molecule-only-refactor