Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with forcefield
A curated list of projects in awesome lists tagged with forcefield .
https://github.com/nlesc-nano/auto-fox
A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
chemistry forcefield forcefield-parameterization molecular-mechanics python quantum-mechanics science
Last synced: 01 Oct 2024
https://github.com/vtlim/plot_potential
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.
computational-chemistry cosine coulomb-interactions energy-functions forcefield harmonic lennard-jones matplotlib molecular-dynamics molecular-modeling molecular-simulation morse potential presentation-materials vdw
Last synced: 01 Oct 2024