Pinned Repositories
atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
BERCdispatch
A python code for sending the BERC weekly dispatch. Queries a google calendar and a google form.
cif2vasp
Converts (most) CIF files to VASP's POSCAR format
cs267_hw3
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.
fireworks
The Fireworks Workflow Management Repo.
MLperovskites
pycdcd
Python Library for Corrections to DFT Calculations of Defects
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 is currently the core analysis code powering the Materials Project.
dbroberg's Repositories
dbroberg/BERCdispatch
A python code for sending the BERC weekly dispatch. Queries a google calendar and a google form.
dbroberg/MLperovskites
dbroberg/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 is currently the core analysis code powering the Materials Project.
dbroberg/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
dbroberg/cif2vasp
Converts (most) CIF files to VASP's POSCAR format
dbroberg/cs267_hw3
dbroberg/custodian
A simple, robust and flexible just-in-time job management framework in Python.
dbroberg/emmet
Be a master builder of databases of material properties. Avoid the Kragle.
dbroberg/fireworks
The Fireworks Workflow Management Repo.
dbroberg/pycdcd
Python Library for Corrections to DFT Calculations of Defects