bracerino / uMLIP-Interactive Star 41 Code Issues Pull requests GUI for running simulations with universal MLIPs (MACE, CHGNet, SevenNet, Nequix, ORB, Allegro, MatterSim, UPET, GRACE) genetic-algorithmmolecular-dynamicsmlphononsmaceelastic-propertiesgeometry-optimizationstreamlitpoint-defectsbulk-modulusmachine-learning-potentialinteratomic-potentialmachine-learning-interatomic-potentialmlipelastic-constantschgnetsevennetnequixmattersim Updated Aug 10, 2026Python
atruszkowska / NiElastic_LAMMPS_PYTHON Star 7 Code Issues Pull requests Computation of elastic properties of nickel in LAMMPS with Pythonpythonlammpselastic-properties Updated Feb 1, 2017Python
akshuattri / DFT-elastic-constants Star 0 Code Issues Pull requests First-principles elastic property analysis including elastic tensor evaluation, elastic moduli calculations, sound velocity analysis, and mechanical property visualization.elastic-propertiesfirst-principles-calculationselastic-modulussound-velocity-analysis Updated May 18, 2026Python