stpayu

University of Toronto

Pinned Repositories

lammps_mlff
MLFF/LAMMPS Interface
Language:C++0 0 00
ocp
https://opencatalystproject.org/
Language:Python0 0 00
schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
Language:Python0 0 00
symat-mod
0 1 00
WebApplication2
Language:HTML0 1 00
GraNNField
existing state-of-the-art GNN models for energy and force prediction tasks, combined with MD calculator through LAMMPS
Language:Python5 1 00

stpayu's Repositories

stpayu/lammps_mlff
MLFF/LAMMPS Interface
Language:C++0 0 00
stpayu/ocp
https://opencatalystproject.org/
Language:Python0 0 00
stpayu/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
Language:Python0 0 00
stpayu/symat-mod
0 1 00
stpayu/WebApplication2
Language:HTML0 1 00