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Projects in Awesome Lists by materialsproject
A curated list of projects in awesome lists by materialsproject .
https://github.com/materialsproject/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.
materials materials-informatics materials-science python science
Last synced: 15 Oct 2024
https://materialsproject.github.io/fireworks/
The Fireworks Workflow Management Repo.
Last synced: 30 Oct 2024
https://github.com/materialsproject/crystaltoolkit
Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
Last synced: 18 Sep 2024
https://github.com/materialsproject/custodian
A simple, robust and flexible just-in-time job management framework in Python.
Last synced: 03 Aug 2024
https://github.com/materialsproject/matbench
Matbench: Benchmarks for materials science property prediction
benchmark chemistry condensed-matter data-science machine-learning machine-learning-algorithms materials-science physics
Last synced: 02 Aug 2024
https://github.com/materialsproject/reaction-network
Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project led by @mattmcdermott (Lawrence Berkeley National Lab).
chemistry materials-science python reaction-network reactions simulation
Last synced: 24 Oct 2024
https://github.com/materialsproject/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.
Last synced: 28 Oct 2024
https://github.com/materialsproject/MPContribs
Platform for materials scientists to contribute and disseminate their materials data through Materials Project
aws-cloudformation bravado dissemination django docker fargate flasgger flask flask-mongoengine handsontable jupyter kong marshmallow mongodb mongoengine python swagger webpack
Last synced: 02 Aug 2024