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Forked from materialsproject/pymatgen
Python 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 i…
Forked from materialsproject/mrnet
Mr. Network is a python reaction-network for molecular systems
Forked from materialsproject/custodian
A simple, robust and flexible just-in-time job management framework in Python.
Forked from hackingmaterials/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
Forked from materialsproject/emmet
Be a master builder of databases of material properties. Avoid the Kragle.
Redfield / TCL2 Exciton Dynamics Code written by Samuel M. Blau
My last PR fixed one QChem parsing problem, but introduced a new one - the zopen call could no longer accommodate gzipped output files. I have fixe…
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