Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field
Scientific Consulting Group · University of California, Irvine · +10 more institutions
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Abstract
), where Sage yields results statistically similar to previous force fields. All the data is made publicly available along with complete details on how to reproduce the training results at https://github.com/openforcefield/openff-sage.
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19Topics & keywords
Topics
Keywords
- Force field (fiction)
- Molecule
- Computer science
- Field (mathematics)
- Computational chemistry
- Physics
- Statistical physics
- Chemistry
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Funding
- NSNational Science FoundationAwards: CHE-1738975, 1738975
- OAOral and Maxillofacial Surgery Foundation
- URUK Research and InnovationAward: MR/T019654/1
- NINational Institutes of HealthAwards: NIGMS R01GM132386, R01GM132386, GM061300
- ACAmerican Chemical Society Petroleum Research FundAward: 58158-DNI6
- NINational Institute of General Medical SciencesAwards: R01GM132386, GM061300
- DODivision of ChemistryAward: CHE-1738975