munrojm
Materials Project staff member in the Persson Group at Berkeley Lab.
Atomic Data SciencesBoston, MA
Pinned Repositories
api
New API client for the Materials Project
emmet
Be a master builder of databases of material properties. Avoid the Kragle.
maggma
MongoDB aggregation machine
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.
academic-kickstart
Easily create a beautiful website using Academic and Hugo
cryst-symm
A Rust-based package to determine the symmetry of crystal structures
DiSPy
Utility for applying the distortion symmetry method.
monty
This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful utilities like transparent support for zipped files etc.
NEBgen
A script to prepare POSCAR's for NEB calculations with VTST and DiSPy.
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.
munrojm's Repositories
munrojm/DiSPy
Utility for applying the distortion symmetry method.
munrojm/cryst-symm
A Rust-based package to determine the symmetry of crystal structures
munrojm/monty
This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful utilities like transparent support for zipped files etc.
munrojm/NEBgen
A script to prepare POSCAR's for NEB calculations with VTST and DiSPy.
munrojm/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.
munrojm/academic-kickstart
Easily create a beautiful website using Academic and Hugo
munrojm/api
[WIP] New API for Materials Project
munrojm/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
munrojm/custodian
A simple, robust and flexible just-in-time job management framework in Python.
munrojm/emmet
Be a master builder of databases of material properties. Avoid the Kragle.
munrojm/fireworks
The Fireworks Workflow Management Repo.
munrojm/maggma
MongoDB aggregation machine
munrojm/munrojm.github.io
A beautiful, simple, clean, and responsive Jekyll theme for academics
munrojm/PaCMAP
PaCMAP: Large-scale Dimension Reduction Technique Preserving Both Global and Local Structure
munrojm/pyrho
munrojm/setuptools_scm
the blessed package to manage your versions by scm tags
munrojm/workshop
The Materials Project Workshop Curriculum