2 results found Sort:

brucefan1983
GPUMD brucefan1983
116
468
gpl-3.0
27
Graphics Processing Units Molecular Dynamics
gpu cuda gpumd phonon simulation heat-transport neural-network neuroevolution machine-learning molecular-dynamics physics-simulation high-performance-computing machine-learning-potential natural-evolution-strategies molecular-dynamics-simulation
Created 2017-07-14
4,203 commits to master branch, last one a day ago
dralgroup
mlatom dralgroup
11
62
other
3
AI-enhanced computational chemistry
deep-learning kernel-method neural-network machine-learning quantum-chemistry quantum-mechanics artificial-intelligence computational-chemistry kernel-ridge-regression machine-learning-potential quantum-chemistry-programs
Created 2023-08-16
72 commits to main branch, last one a day ago