chem-ant

Name	chem-ant JSON
Version	0.1.2 JSON
	download
home_page	https://github.com/akuroiwa/chem-ant
Summary	Select materials to output molecules similar to the target molecule with MCTS Solver and Genetic Programming.
upload_time	2024-11-02 11:24:43
maintainer	None
docs_url	None
author	Akihiro Kuroiwa, ChatGPT of OpenAI, Perplexity AI
requires_python	!=3.10.*,>=3.8
license	GNU/GPLv3+
keywords	evolutionary algorithms genetic programming gp mcts mcts solver cheminformatics chemoinformatics
VCS
bugtrack_url
requirements	rdkit global_chem_extensions deap mcts mcts-solver pandas
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            # 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](https://github.com/akuroiwa/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:

```console
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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