GitHub topics: atomic-simulation
pyscal/atomRDF
atomRDF is a python tool for ontology-based creation, manipulation, and querying of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).
Language: Jupyter Notebook - Size: 15.6 MB - Last synced at: 28 days ago - Pushed at: about 1 month ago - Stars: 9 - Forks: 1
MorrowChem/RingsStatisticsMatter.jl
Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations
Language: Julia - Size: 4.63 MB - Last synced at: about 1 year ago - Pushed at: over 1 year ago - Stars: 11 - Forks: 2
