Metadata-Version: 2.4
Name: qspoc
Version: 0.5.1
Summary: Quantum and Data Analysis toolkit for molecular descriptors computation
Author-email: Zhenzhi Tan <zhenzhi-tan@outlook.com>
License: MIT
Project-URL: Bug Reports, https://github.com/deepsynthesis/qspoc/issues
Project-URL: Documentation, https://qspoc.readthedocs.io
Project-URL: Homepage, https://github.com/deepsynthesis/qspoc
Project-URL: Repository, https://github.com/deepsynthesis/qspoc
Keywords: chemistry,quantum,descriptors,rdkit,xtb
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.8
License-File: LICENSE
Requires-Dist: numpy>=1.20.0
Requires-Dist: pandas>=1.3.0
Requires-Dist: rdkit>=2023.3.1
Requires-Dist: rich>=13.0.0
Requires-Dist: click>=8.0.0
Requires-Dist: tqdm>=4.60.0
Requires-Dist: matplotlib>=3.10.6
Requires-Dist: epam.indigo>=1.36.1
Provides-Extra: dev
Requires-Dist: pytest>=7.0.0; extra == "dev"
Requires-Dist: black>=23.0.0; extra == "dev"
Requires-Dist: ipython>=8.0.0; extra == "dev"
Requires-Dist: ipdb>=0.13.0; extra == "dev"
Provides-Extra: docs
Requires-Dist: sphinx>=4.0.0; extra == "docs"
Requires-Dist: sphinx-rtd-theme>=1.0.0; extra == "docs"
Dynamic: license-file
