atomsk

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

Fortran★ 252

ab-initioatomeyeatomic-designatomistic-simulationscheminformaticscifcrystal-builderdislocation

p@pierrehirel++

awesome-python-chemistry

A curated list of Python packages related to chemistry

code★ 1.4k

atomistic-simulationschemistrycomputational-chemistrymolecular-dynamicspython-chemistryquantum-chemistrysimulation

l@lmmentel++