Similar repositories to zhangylch/EANN:
zhangylch/EANN
github
similar
zhangylch/REANN
github
similar
zhangylch/Piecewise-embedded-atom-neural-networks-potential
github
similar
lmmentel/chemtools
github
similar
zhangylch/Physically-motivated-Recursively-Embedded-Atom-Neural-Networks
github
similar
peverati/ACCDB
github
similar
tongzhugroup/mddatasetbuilder
github
similar
tongzhugroup/reacnetgenerator
github
similar
davpoolechem/JuliaChem.jl
github
similar
deepmodeling/deepks-kit
github
similar
i-pi/i-pi
github
similar
MolSSI-BSE/basis_set_exchange
github
similar
wengong-jin/nips17-rexgen
github
similar
deepmodeling/dpgen
github
similar
rouyang2017/SISSO
github
similar
jensengroup/xyz2mol
github
similar
ylikx/forpy
github
similar
isayev/ASE_ANI
github
similar
brain-research/mpnn
github
similar
PytLab/VASPy
github
similar
CrawfordGroup/ProgrammingProjects
github
similar
jparkhill/TensorMol
github
similar
Roger-luo/Brochure.jl
github
similar
grimme-lab/xtb
github
similar
atomistic-machine-learning/schnetpack
github
similar
pyscf/pyscf
github
similar
3dmol/3Dmol.js
github
similar
deepmodeling/deepmd-kit
github
similar
openbabel/openbabel
github
similar
materialsproject/pymatgen
github
similar
lammps/lammps
github
similar
FluxML/Flux.jl
github
similar
deepchem/deepchem
github
similar
Jack-Cherish/PythonPark
github
similar
deepmind/deepmind-research
github
similar
pyg-team/pytorch_geometric
github
similar
PaddlePaddle/Paddle
github
similar
ryanhanwu/How-To-Ask-Questions-The-Smart-Way
github
similar
JuliaLang/julia
github
similar
marktext/marktext
github
similar