Pinned Repositories
abucus-bandapi
cuda-cmake-template
Template for using cuda with cmake
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
dflow
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
jaxscf
lightMolNet
pyGTOInt
pyRHF
Full Python code for learning RHF
saltball's Repositories
saltball/pyRHF
Full Python code for learning RHF
saltball/dpdispatcher
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
saltball/jaxscf
saltball/lightMolNet
saltball/pyGTOInt
saltball/abucus-bandapi
saltball/cuda-cmake-template
Template for using cuda with cmake
saltball/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
saltball/dflow
saltball/dpdata
Manipulating DeePMD-kit, VASP, LAMMPS data formats.
saltball/dpgen
The deep potential generator
saltball/dpmd_lmp_docker
docker with built libtensorflow
saltball/IdiomsByElements
Idioms By Elements.
saltball/learnpython
saltball/numba-doc-zh
saltball/openmm
saltball/saltball
saltball/usenauty
saltball/xtb-gaussian
A wrapper to run xtb inside Gaussian.