Abby Ista's repositories
abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
blog
The Deep Modeling Blog
deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional models
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
dpgen
The deep potential generator
dpgui
A web-based GUI for user inputs
fealpy
Finite Element Analysis Library in Python
lammps
Public development project of the LAMMPS MD software package
plumed2
Development version of plumed 2
rid-kit
Reinforced dynamics
S0
Data repository for "Computing chemical potentials of solutions from structure factors"