0 "atomistic-simulations" Awesome Lists
awesome-python-chemistry
A curated list of Python packages related to chemistry
atomistic-simulations chemistry computational-chemistry molecular-dynamics python-chemistry quantum-chemistry simulation
1,399 stars
230 forks
152 projects
Last updated: 21 May 2026
awesome-materials-informatics
Curated list of known efforts in materials informatics, i.e. in modern materials science
ab-initio atomistic-simulations awesome awesome-list chemistry computational-materials computational-materials-engineering crystal-structure crystallography data-science
514 stars
107 forks
133 projects
Last updated: 24 May 2026