Metadata-Version: 2.2
Name: almos_kit
Version: 0.1.1
Summary: Active Learning Molecular Selection
Home-page: https://github.com/MiguelMartzFdez/almos
Download-URL: https://github.com/MiguelMartzFdez/almos/archive/refs/tags/0.1.1.tar.gz
Author: Miguel Martínez Fernández, Susana García Abellán, Juan V. Alegre Requena
Author-email: miguel.martinez@csic.es, susanag.abellan@gmail.com
License: MIT
Keywords: workflows,machine learning,cheminformatics,clustering,active learning,automated
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Developers
Classifier: Topic :: Software Development :: Build Tools
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: aqme==1.7.2
Requires-Dist: robert==2.0.1
Requires-Dist: plotly==5.24.1
Requires-Dist: matplotlib==3.10.0
Requires-Dist: numpy<3.0,>=1.26.4
Requires-Dist: pandas<2.3,>=2.2.2
Requires-Dist: pdfplumber==0.11.5
Requires-Dist: rdkit==2024.3.3
Requires-Dist: scikit_learn<1.7,>=1.6
Requires-Dist: scikit_learn_intelex==2025.0.1
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Documentation in Read The Docs: https://almos.readthedocs.io
