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NOTE:
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openff-evaluator discussion
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Book suggestion for learning about forcefields used in molecular dynamics (specially those used in CADD)
There have been recent initiatives to create an open force field and parameters database, with particular focus on small molecules. This is a consortia of academics and pharmaceutical companies. You can read all about their efforts here: https://openforcefield.org/
- OpenFF – Automated estimation of physical properties
Stats
Basic openff-evaluator repo stats
2
56
7.7
7 days ago
openforcefield/openff-evaluator is an open source project licensed under MIT License which is an OSI approved license.
The primary programming language of openff-evaluator is Python.
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