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bofire Public
Forked from experimental-design/bofireExperimental design and (multi-objective) bayesian optimization.
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turbomoleio Public
Forked from Matgenix/turbomoleioTurbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum chemistry package.
Python GNU General Public License v3.0 UpdatedJun 13, 2023 -
lammps Public
Forked from rochusschmid/lammpsPublic development project of the LAMMPS MD software package
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