Topic: forcefield Goto Github
Some thing interesting about forcefield
Some thing interesting about forcefield
forcefield,Modeling the synthesis of SILica materials VIA multiscale computer simulation. (implementation in MARTINI forcefield)
User: 4ndrecarvalho
forcefield,Analysis scripts for the CHARMM GUI Drude Prepper Paper
User: aakognole
forcefield,Classical force-field for peptides containing 4-fluorinated proline residues (or any canonical peptide). Includes a proline ring pucker correction
User: ajaymur91
forcefield, Python-based library for easy force-field fitting
User: arvk
forcefield,Use main thread to communicate with SQL database and run passed functions on worker threads.
User: awallace3
Home Page: https://pypi.org/project/hrcl-jobs/
forcefield,Bayesian tools for fitting molecular mechanics torsion parameters to quantum chemical data.
Organization: choderalab
Home Page: http://openforcefield.org
forcefield,OPLS parameters for perfluoroalkanes in Foyer format. Source: Watkins and Jorgensen, J. Phys. Chem. A, 105, 2001 pp 4118-4125 http://dx.doi.org/10.1021/jp004071w
User: chrisiacovella
forcefield,First program for a class in molecular modelling (done in june 2016). Its an implementation of simple Molecular Dynamics for atoms with a possibility to choose from different algorithms (Verlet, VelocityVerlet, Leepfrog) and potentials (Lenard-Jones, SoftWall, min-barrier-bin).
User: hansiu
forcefield,A Package for Parametrization of Molecular Mechanics Force Fields
User: jmorado
Home Page: https://paramol.readthedocs.io
forcefield,MFFS is a mod for Minecraft that adds a modular forcefield system to the game. It is based on the 1.12.2 MFFS mod, but has been completely rewritten for the newer versions of Minecraft.
Organization: katcodesmods
forcefield,Linear Machine learning Interatomic Potential for atomistic simulations
User: lam-group
Home Page: https://plip.readthedocs.io/en/latest/
forcefield,BlockBreakEvent and BlockPlaceEvent is better when canceled!
Organization: nhanaz-pm-pl
forcefield,A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
Organization: nlesc-nano
forcefield,Generate canonical molecule identifiers for quantum chemistry database
Organization: openforcefield
Home Page: https://cmiles.readthedocs.io
forcefield,A physical property evaluation toolkit from the Open Forcefield Consortium.
Organization: openforcefield
Home Page: https://docs.openforcefield.org/projects/evaluator
forcefield,Fragment molecules for quantum mechanics torsion scans
Organization: openforcefield
Home Page: https://fragmenter.readthedocs.io/en/latest/
forcefield,A project (and object) for storing, manipulating, and converting molecular mechanics data.
Organization: openforcefield
Home Page: https://docs.openforcefield.org/projects/interchange
forcefield,The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Organization: openforcefield
Home Page: http://openforcefield.org
forcefield,GROMACS implementation of PVDF/CNT FF. PVDF from Sahihi et al. , J. Phys. Chem. C 2021 125 (39), 21635-21644, DOI: 10.1021/acs.jpcc.1c05894. CNT from OPLS-AA.
Organization: pkmlab
forcefield,Simple Simulation Engine computational chemistry
User: prokophapala
forcefield,Nucleic acid labeling and all-atom MD simulations with explicit fluorophores
Organization: rna-fretools
Home Page: https://rna-fretools.github.io/fretlabel/
forcefield,Plot individual potential functions that comprise force fields. Ideal for presentations. Includes energy terms for bonds (harmonic), angles (harmonic), proper torsion (periodic cosine), improper torsion (harmonic), van der Waals (Lennard-Jones), electrostatics (Coulomb), and the Morse potential.
User: vtlim
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