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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