Pinned Repositories
custodian
A simple, robust and flexible just-in-time job management framework in Python.
mdproptools
A Python package for LAMMPS analysis tools
mispr
A software for automating materials science computations
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.
rubicon
Workflow for Electrolyte Genome Project.
MolMD Research Group @ SBU's Repositories
molmd/mispr
A software for automating materials science computations
molmd/mdproptools
A Python package for LAMMPS analysis tools
molmd/custodian
A simple, robust and flexible just-in-time job management framework in Python.
molmd/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.
molmd/rubicon
Workflow for Electrolyte Genome Project.