Projects in Awesome Lists tagged with computational-materials
A curated list of projects in awesome lists tagged with computational-materials .
https://github.com/tilde-lab/pycrystal
Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
abinitio abinitio-simulations atomistic-simulations computational-chemistry computational-materials crystal crystal-ab-initio crystal-structure crystallography emsl first-principles gaussian gaussian-lcao materials-science
Last synced: 21 Mar 2025
https://github.com/RexGalilae/vasp-tools
A suite of scripts and modules that perform menial, tedious and repetitive tasks and operations on VASP files that were hurriedly and haphazardly put together by some intern.
computational-chemistry computational-materials computational-physics computational-science materials-science python python-3 python-library python-script python3 vasp vasp-files
Last synced: 29 Nov 2024
https://github.com/tilde-lab/optimade.science
A "sky-scanner" Optimade browser-only GUI
computational-materials computational-materials-engineering materials-data materials-genome materials-informatics materials-platform materials-science optimade
Last synced: 28 Apr 2025