shivupa
Current: Postdoctoral Scholar | University of Washington | Xiaosong Li Lab Former: Graduate Student | University of Pittsburgh | Kenneth D. Jordan Lab
University of PittsburghSeattle, WA
Pinned Repositories
1D_schrodinger_python
CASINO_PLOTTING
Plot DMC data from CASINO jobs
cclib
Parsers and algorithms for computational chemistry logfiles
cclib-ci
cclib ci docker images
chem_braket
chemreps
Implementation of various machine learning representations for molecules
hf_rosetta
pyci
A Python Configuration Interaction program.
QMMM_study_group
QM/MM Study Group
semiempy
Semiempirical Quantum Chemistry Methods
shivupa's Repositories
shivupa/CASINO_PLOTTING
Plot DMC data from CASINO jobs
shivupa/ARGONPTMC
Welcome to ArgoNPTMC.
shivupa/galileo-theme
Another damned theme for Jekyll
shivupa/NPTMC
shivupa/so-simple-theme
A simple and clean responsive Jekyll theme for words and photos.
shivupa/test
shivupa/VarHy
Variation Hydrogen Atom in C
shivupa/WaterNPTMC