Concepedia
Statistics
Publications
490
Citations
2.2K
Location
Davis, United States
Also known as OMSF
Open Molecular Software Foundation is a nonprofit institution in Davis, United States known for molecular modeling, computational chemistry, and force fields.
Top concepts
Force FieldsNatural SciencesMolecular ModelingComputational ChemistryMolecular MechanicsChemistryForce Field DevelopmentBiomolecular Force FieldsIntermolecular ForcesMedicinal Chemistry
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
Peter Eastman, Raimondas Galvelis, Raúl P. Peláez et al. · The Journal of Physical Chemistry B · 2023 · 469 citations · Full text
Natural Sciences, Biophysics, Chemistry +17
Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field
Simon Boothroyd, Pavan Kumar Behara, Owen Madin et al. · Journal of Chemical Theory and Computation · 2023 · 189 citations · Full text
Natural Sciences, Chemistry, Medicinal Chemistry +17
SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials
Peter Eastman, Pavan Kumar Behara, David Dotson et al. · Scientific Data · 2023 · 168 citations · Full text
Natural Sciences, Chemistry, Computational Chemistry +16
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale
Joshua T. Horton, Simon Boothroyd, Jeffrey Wagner et al. · Journal of Chemical Information and Modeling · 2022 · 61 citations · Full text
MDAnalysis 2.0 and beyond: fast and interoperable, community driven simulation analysis
Fiona B. Naughton, Irfan Alibay, Jonathan Barnoud et al. · Biophysical Journal · 2022 · 51 citations
Business, Systems Engineering, Systems Analysis +8
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