Pinned Repositories
atomate2
atomate2 is a library of computational materials science workflows
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
pymatgen-io-validation
Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, with possible future expansion to cover other DFT codes.
ASMADA
Automatic Shape Memory Alloy Data Analyzer (ASMADA)
atomate2
atomate2 is a library of computational materials science workflows
chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling
custodian
A simple, robust and flexible just-in-time job management framework in Python.
emmet
Be a master builder of databases of material properties. Avoid the Kragle.
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
test_pypi
Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, with possible future expansion to cover other DFT codes.
matthewkuner's Repositories
matthewkuner/ASMADA
Automatic Shape Memory Alloy Data Analyzer (ASMADA)
matthewkuner/atomate2
atomate2 is a library of computational materials science workflows
matthewkuner/chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling
matthewkuner/custodian
A simple, robust and flexible just-in-time job management framework in Python.
matthewkuner/emmet
Be a master builder of databases of material properties. Avoid the Kragle.
matthewkuner/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
matthewkuner/test_pypi
Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, with possible future expansion to cover other DFT codes.