Pinned Repositories
cdvae
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
dpdata
Manipulating DeePMD-kit, VASP, LAMMPS data formats.
dpdispatcher
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
generate
genshin-impact-script
原神脚本，包含自动钓鱼、自动拾取、战斗辅助等多项功能。A sweet genshin impact script, contains many functions such as auto-fishing, auto-pickup, battle assist, etc.
GPUMD
Graphics Processing Units Molecular Dynamics
i-pi
i-PI: a universal force engine
nnpot
PyNEP
A python interface of NEP
bigd4's Repositories
bigd4/PyNEP
A python interface of NEP
bigd4/nnpot
bigd4/cdvae
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
bigd4/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
bigd4/dpdata
Manipulating DeePMD-kit, VASP, LAMMPS data formats.
bigd4/dpdispatcher
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
bigd4/generate
bigd4/genshin-impact-script
原神脚本，包含自动钓鱼、自动拾取、战斗辅助等多项功能。A sweet genshin impact script, contains many functions such as auto-fishing, auto-pickup, battle assist, etc.
bigd4/genshin-sign2
bigd4/GPUMD
Graphics Processing Units Molecular Dynamics
bigd4/i-pi
i-PI: a universal force engine
bigd4/JJXrd
bigd4/genshin-impact-helper
Auto get Genshin Impact daily bonus by GitHub Actions. 米游社原神自动每日签到
bigd4/genshin-sign
原神自动签到
bigd4/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
bigd4/NEP_CPU
Serial CPU version of NEP
bigd4/nju-clock-in
南京大学自动打卡
bigd4/pycqg
A Python package for construction and analysis of crystal quotient graphs.
bigd4/QUIP
libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org
bigd4/REANN