Pinned Repositories
atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
atomate2
atomate2 is a library of computational materials science workflows
DFT_amorphous_structure
emmet
Be a master builder of databases of material properties. Avoid the Kragle.
fireworks
The Fireworks Workflow Management Repo.
GB_octonion_code
Tutorial code for performing a variety of grain boundary computations including conversions between grain boundary representations, grain boundary distance calculations and grain boundary interpolation.
glassie
interactive-plots
maggma
MongoDB aggregation machine
mpmorph
MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the Materials Project (pymatgen, custodian, fireworks) and atomate.
Tinaatucsd's Repositories
Tinaatucsd/mpmorph
MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the Materials Project (pymatgen, custodian, fireworks) and atomate.
Tinaatucsd/glassie
Tinaatucsd/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
Tinaatucsd/atomate2
atomate2 is a library of computational materials science workflows
Tinaatucsd/DFT_amorphous_structure
Tinaatucsd/emmet
Be a master builder of databases of material properties. Avoid the Kragle.
Tinaatucsd/fireworks
The Fireworks Workflow Management Repo.
Tinaatucsd/GB_octonion_code
Tutorial code for performing a variety of grain boundary computations including conversions between grain boundary representations, grain boundary distance calculations and grain boundary interpolation.
Tinaatucsd/interactive-plots
Tinaatucsd/maggma
MongoDB aggregation machine
Tinaatucsd/maml
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
Tinaatucsd/MPContribs
MP's User Contribution Framework
Tinaatucsd/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.
Tinaatucsd/pymatgen-db
Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the creation of Materials Project-style databases for management of materials data.
Tinaatucsd/pymatgen-diffusion
This add-on to pymatgens provides tools for analyzing diffusion in materials.
Tinaatucsd/pymatviz
A toolkit for visualizations in materials informatics.
Tinaatucsd/python-citrination-client
Reference implementation in python for Citrination api