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Select materials to output molecules similar to the target molecule with MCTS Solver and Genetic Programming.

Project description

chem-ant

Select materials to output molecules similar to the target molecule with MCTS Solver and Genetic Programming. This is a part of Chess-Ant project.

If you want to install this package on Python 3.12, please be sure to read the manual above beforehand.

Please install the required packages using the following commands:

pip install git+https://github.com/Global-Chem/global-chem.git#subdirectory=global_chem
pip install git+https://github.com/Global-Chem/global-chem.git#subdirectory=global_chem_extensions

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