Dataset - Catalog

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3 datasets found

Federal

JARVIS: Joint Automated Repository for Various Integrated Simulations

National Institute of Standards and Technology —

JARVIS (Joint Automated Repository for Various Integrated Simulations) is a repository designed to automate materials discovery using classical force-field, density...
- HTML
- HTML
- HTML
Federal

CHIPS-FF: Evaluating Universal Machine Learning Force Fields for Material Properties

National Institute of Standards and Technology —

CHIPS-FF (Computational High-Performance Infrastructure for Predictive Simulation-based Force Fields) is a universal, open-source benchmarking platform for machine...
- HTML
Federal

Lignin Forcefield Source Datafiles

Department of Energy —

Three archives are provided here comprising the development of a CHARMM36-compatible lignin forcefield suitable for use in biomolecular simulations. One archive...
- BIN
- BIN
- BIN
- BIN

3 datasets found

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