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AM3DB: 3D Atom Mapping Database for chemical kinetics transition state searches

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Documentation: https://DanaResearchGroup.github.io/AM3DB/

Source Code: https://github.com/DanaResearchGroup/AM3DB/

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General

AM3DB is a database for storing 3D atom-maps of chemical reactions.

Requirements

Python 3.7+

AM3DB stands on the shoulders of giants:

• RMG for model generation.
• ARC for automating electronic structure calculations.

License

This project is licensed under the terms of the MIT license.