lavakyan's Stars
JabRef/jabref
Graphical Java application for managing BibTeX and biblatex (.bib) databases
AndreyAkinshin/Russian-Phd-LaTeX-Dissertation-Template
LaTeX-template for russian Phd thesis
ricktu288/ray-optics
A web app for creating and simulating 2D geometric optical scenes, with a gallery of (interactive) demos.
pyscf/pyscf
Python module for quantum chemistry
uwescience/shablona
A template for small scientific python projects
charlesll/rampy
Python software for spectral data processing (IR, Raman, XAS...)
WEGA-project/wega-hpg
polyanskiy/refractiveindex.info-database
Database of optical constants
giacomomarchioro/PyEnergyDiagrams
This is a simple script to plot energy profile diagrams using Python and matplotlib.
xraypy/xraylarch
Larch: Applications and Python Library for Data Analysis of X-ray Absorption Spectroscopy (XAS, XANES, XAFS, EXAFS), X-ray Fluorescence (XRF) Spectroscopy and Imaging, and more.
pipidog/ONCVPSP
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
odomanov/biblatex-gost
Biblatex styles for Russian GOST 7.0.5-2008 bibliography standard
bruceravel/demeter
Process and analyze X-ray Absorption Spectroscopy data using Feff and either Larch or Ifeffit.
cagrikymk/JAX-ReaxFF
JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields
tproffen/DiffuseCode
Suite of programs to simulate disordered and nanomaterials
SASfit/SASfit
A curve fitting program for small-angle scattering curves, mostly from SAXS and SANS experiments in analytical or biological chemistry. đź“„https://doi.org/10.1107/S1600576722009037 đź“„https://doi.org/10.1107/S1600576717011979 đź“„https://doi.org/10.1107/S1600576715016544
jkitchin/python-reaxff
python wrappers for generating training files for the ReaxFF code
chesdenis/qQuarium
gudasergey/fdmnes
FDMNES
TCvanLeth/ScatterPy
T-matrix electromagnetic scattering simulations
abInitioSKim/xrdsimpy
Simulate X-ray powder diffraction (xrd) peak for a atomic model
nanophotonics/npmie
Mie theory calculator
ruslan1441/sphear_foo