Awesome Cheminformatics Awesome

Cheminformatics (also known as chemoinformatics, chemioinformatics and chemical informatics) is the use of computer and informational techniques applied to a range of problems in the field of chemistry.— Wikipedia

A curated list of awesome Cheminformatics software, resources, and libraries. Mostly command line based, and free or open-source. Please feel free to contribute !

Contents

Applications

Visualization

Command Line Tools

Docking

Libraries

General Purpose

Format Checking

Visulization

Molecular Descriptors

Machine Learning

Web APIs

Databases

Molecular Dynamics

Journals

Resources

Courses

Blogs

Books

See Also

License

CC0