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jobflow-remote
Publicatomate2-turbomole
Publicmatminer
Publicatomate2-addon-template
Public templateqtoolkit
Publicturbomoleio
PublicTurbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum chemistry package.modnet
Publicpysisso
Public archivedatalab
Publicatomate2-lammps
Public archivepymatgen
PublicPython Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.atomate2
Publicpymatgen-io-lammps
Publicatomate
Publicabiflows
Public