Cheminformatics

4 projects

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An open-source Python library for applying deep learning to drug discovery, materials science, quantum chemistry, and biology.

A collection of cheminformatics and machine-learning software for molecular informatics, written in C++ with Python wrappers.

A curated list of awesome Python frameworks, libraries, software, and resources for chemistry and cheminformatics.

An open-source chemical toolbox for converting, analyzing, and manipulating molecular data across 90+ file formats.

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