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by-student-2017 / lammps-14May16

C++ 3 Updated Oct 28, 2021

experimental-design / bofire

Experimental design and (multi-objective) bayesian optimization.

Jupyter Notebook 259 28 Updated Feb 26, 2025

kyphd / interpolatePOSCAR

interpolate POSCAR for VASP NEB calculation

Python 5 1 Updated Aug 26, 2020