Metadata-Version: 2.1
Name: chem_ant
Version: 0.1.2
Summary: Select materials to output molecules similar to the target molecule with MCTS Solver and Genetic Programming.
Home-page: https://github.com/akuroiwa/chem-ant
Author: Akihiro Kuroiwa, ChatGPT of OpenAI, Perplexity AI
Author-email: akuroiwa@env-reform.com, 
License: GNU/GPLv3+
Keywords: evolutionary algorithms,genetic programming,gp,mcts,mcts solver,cheminformatics,chemoinformatics
Platform: any
Classifier: Development Status :: 3 - Alpha
Classifier: Environment :: Console
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Education
Classifier: Operating System :: OS Independent
Classifier: License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Software Development
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Medical Science Apps.
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.8, !=3.10.*
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: rdkit
Requires-Dist: mcts
Requires-Dist: deap
Requires-Dist: mcts-solver
Requires-Dist: pandas
Requires-Dist: biopython
Requires-Dist: openbabel-wheel
Provides-Extra: classification
Requires-Dist: transformers; extra == "classification"
Requires-Dist: chem_classification; extra == "classification"

# 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
```
