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Top 6 force-field open source projects
snap
Repository for spectral neighbor analysis potential (SNAP) model development.
✭ 27
AMPL
machine-learning
force-field
materials-science
ball
The Biochemical Algorithms Library
✭ 64
C++
c
CMake
HTML
Yacc
python
structural-biology
computational-biology
force-field
chemoinformatics
drug-design
torsionfit
Bayesian tools for fitting molecular mechanics torsion parameters to quantum chemical data.
✭ 15
Rich Text Format
python
force-field
bayesian-inference
uncertainty-quantification
forcefield
torsions
nsf-grant-che-1738979
forcefield-parameterization
foyer
A package for atom-typing as well as applying and disseminating forcefields
✭ 78
python
molecular-dynamics
molecular-simulation
force-field
foyer
atom-typing
disseminating-forcefields
cgdms
Differentiable molecular simulation of proteins with a coarse-grained potential
✭ 44
python
automatic-differentiation
protein
force-field
potential
coarse-grained
fftool
Tool to build force field input files for molecular simulation.
✭ 84
python
molecular-dynamics
lammps
force-field
packmol
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force-field projects