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sundmanbo / opencalphad

Open Calphad, thermodynamic calculation code

Fortran 183 77 Updated Oct 28, 2024

aslozada / kanon

Program to compute chirality indices and assess molecular symmetry

Fortran 4 Updated Jul 12, 2024

rougier / scientific-visualization-book

An open access book on scientific visualization using python and matplotlib

Python 10,702 991 Updated Jan 22, 2024

drcassar / glas

Genetic Lookup for Apt Substances

Python 6 2 Updated May 22, 2021

usnistgov / jarvis

JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/watch?v=2-XHeC…

Python 308 125 Updated Oct 25, 2024

lammps / lammps

Public development project of the LAMMPS MD software package

C++ 2,228 1,713 Updated Oct 30, 2024