Molecular Dynamics
5 items across the graph — tagged with Molecular Dynamics.
From the graph · 5
repo
mir-group/nequip
→repoNequIP is a code for building E(3)-equivariant interatomic potentials
atomistic-machine-learning/schnetpack
→repoSchNetPack - Deep Neural Networks for Atomistic Systems
brucefan1983/GPUMD
→repoGraphics Processing Units Molecular Dynamics
lab-cosmo/upet
→repoUniversal machine-learning models for advanced atomistic simulations
mqcomplab/MDANCE
→MDANCE: Hyper-efficient tools to process molecular dynamics simulations.