Metadata-Version: 2.1
Name: amethyst-rdkit
Version: 1.1
Summary: An analogue generator.
Home-page: https://github.com/mogadishu000/amethyst
License: LGPL-3.0-only
Keywords: chemistry,analogues,combinatorial chemistry,rdkit
Author: Bernard Kamiński
Requires-Python: >=3.9,<4.0
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Typing :: Typed
Requires-Dist: click (>=8.1.7,<9.0.0)
Requires-Dist: loguru (>=0.7.2,<0.8.0)
Requires-Dist: rdkit (>=2023.9.6,<2024.0.0)
Project-URL: Repository, https://github.com/mogadishu000/amethyst
Description-Content-Type: text/markdown

# amethyst - an analogue generator
---

It takes core molecule and list of R-groups and returns all possible combinations. For now documentation is available in the code via docstrings with more in-depth one being planned for the future.

Requires rdkit for core functionality and click for CLI access.