Projects in Awesome Lists tagged with force-field-optimization
A curated list of projects in awesome lists tagged with force-field-optimization .
https://github.com/torchmd/mdgrad
Pytorch differentiable molecular dynamics
chemistry differentiable-simulations force-field-optimization graph-neural-networks molecular-dynamics physics-simulation polymer quantum-dynamics quantum-isomerization statistical-mechanics
Last synced: 25 Dec 2025
https://github.com/ericchansen/q2mm
Quantum to Molecular Mechanics (Q2MM)
force-field-optimization force-fields molecular-mechanics optimal-parameters quantum schrodinger
Last synced: 01 Apr 2026
