Published January 12, 2024
| Version 0.12.1
Software
Open
Foyer: A package for atom-typing as well as applying and disseminating forcefields
Description
Foyer is an open-source Python tool for defining and applying force field atom-typing rules in a format that is both human- and machine-readable. It parametrizes chemical topologies, generating, syntactically correct input files for various simulation engines. Foyer provides a framework for force field dissemination, helping to eliminate ambiguity in atom-typing and improving reproducibility.
Notes
If you use this software, please cite it using the metadata from this file and the preferred citation.
Files
mosdef-hub/foyer-0.12.1.zip
Files
(1.9 MB)
| Name | Size | Download all |
|---|---|---|
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md5:f58b792a192b405046fd85f88e813977
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1.9 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/mosdef-hub/foyer/tree/0.12.1 (URL)