ChemTSv2 is a flexible and versatile molecule generator based on reinforcement learning with natural language processing.
Project description
ChemTSv2 is a refined and extended version of ChemTS. The original implementation is available at https://github.com/tsudalab/ChemTS.
It provides:
- easy-to-run interface by using only a configuration file
- easy-to-define framework for users' any reward function, molecular filter, and tree policy
- various usage examples in the GitHub repository
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