Pinned Repositories
dftbplus
DFTB+ general package for performing fast atomistic simulations
fblualib
Facebook libraries and utilities for Lua
matgl
Graph deep learning library for materials, matgl with my personal modifications
matgl
Graph deep learning library for materials
nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
JunsuAndrewLee's Repositories
JunsuAndrewLee/dftbplus
DFTB+ general package for performing fast atomistic simulations
JunsuAndrewLee/fblualib
Facebook libraries and utilities for Lua
JunsuAndrewLee/matgl
Graph deep learning library for materials, matgl with my personal modifications