Matt Thompson's Projects
some Dockerfile(s) I use (or claim to)
Collection of assorted doftfiles
Analyze molecular simulations of droplets
Systematic force field optimization.
A conda-smithy repository for forcebalance.
A package for atom-typing as well as applying and disseminating forcefields
Freeze your API
Experimental and calculated small molecule hydration free energies
Geometry optimization code that includes the TRIC coordinate system
A conda-smithy repository for geometric.
Sandbox for experiments with GitHub Actions
Flexible storage of chemical topology for molecular simulation
GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
A conda-smithy repository for gromacs.
Data and analysis related to generational changes in attitudes toward gun control
Unsuitable for production.
Library of ionic liquid forcefields for use in molecular simulation
Conversion tool for molecular simulations
A conda-smithy repository for intermol.
A conda-smithy repository for jax.
Reproducing a jaxlib crash
Public development project of the LAMMPS MD software package
Constant potential method in LAMMPS