Molecular Modeling
4 projects
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DeepChemPython
An open-source Python library for applying deep learning to drug discovery, materials science, quantum chemistry, and biology.
#hacktoberfest#scientific-computing#cheminformatics
Stars6.7k
Forks2.2k
Last commit1 month ago
RDKitHTML
A collection of cheminformatics and machine-learning software for molecular informatics, written in C++ with Python wrappers.
#cheminformatics#python-library#chemical-informatics
Stars3.4k
Forks1.0k
Last commit2 days ago
awesome-python-chemistry
A curated list of awesome Python frameworks, libraries, software, and resources for chemistry and cheminformatics.
#scientific-computing#cheminformatics#simulation
Stars1.4k
Forks227
Last commit7 months ago
openbabelC++
An open-source chemical toolbox for converting, analyzing, and manipulating molecular data across 90+ file formats.
#scientific-computing#cheminformatics#file-format-conversion
Stars1.3k
Forks470
Last commit1 year ago
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