Projects in Awesome Lists tagged with forcefield
A curated list of projects in awesome lists tagged with forcefield .
https://github.com/openforcefield/cmiles
Generate canonical molecule identifiers for quantum chemistry database
cheminformatics database forcefield forcefield-parameterization quantum-chemistry
Last synced: 18 Feb 2026
https://github.com/choderalab/torsionfit
Bayesian tools for fitting molecular mechanics torsion parameters to quantum chemical data.
bayesian-inference force-field forcefield forcefield-parameterization nsf-grant-che-1738979 torsions uncertainty-quantification
Last synced: 04 Feb 2026
https://github.com/cabb99/open3spn2
An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM
Last synced: 16 Jan 2026
https://github.com/nhanaz/bettercancel
BlockBreakEvent and BlockPlaceEvent is better when canceled!
bettercancel deny forcefield php plugin pmmp pocketmine
Last synced: 02 Jul 2025
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: 19 Apr 2025
https://github.com/NhanAZ/BetterCancel
BlockBreakEvent and BlockPlaceEvent is better when canceled!
bettercancel deny forcefield php plugin pmmp pocketmine
Last synced: 09 Jul 2025
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: 10 Oct 2025
https://github.com/caltechmsc/dreid-forge
A high-performance, pure Rust library for automated DREIDING force field parameterization. It orchestrates structure repair, topology perception, and partial atomic charge calculation to produce simulation-ready inputs for both biological macromolecules and arbitrary chemical systems.
biochemistry biology cheminformatics chemistry dna dreiding forcefield forcefield-parameterization molecular-dynamics molecule nucleic-acids partial-charges protien qeq rna rust
Last synced: 19 May 2026
