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  1. Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theory.

    Jupyter Notebook 19 2

  2. Repository containing code/data associated with manuscript "Selectivity in materials synthesis via thermochemical connectivity in hyperdimensional phase space".

    Jupyter Notebook 1 1

  3. pymatgen Public

    Forked from materialsproject/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 i…

    HTML 1 1

  4. Forked from materialsproject/crystaltoolkit

    Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules. It is also a suite of ready-made UI components to render Materials…

    Python 1 1

  5. atomate Public

    Forked from hackingmaterials/atomate

    atomate is a powerful software for computational materials science and contains pre-built workflows.

    Python 1 1

  6. emmet Public

    Forked from materialsproject/emmet

    Be a master builder of databases of material properties. Avoid the Kragle.

    Python 1 1

405 contributions in the last year

Dec Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Mon Wed Fri

Contribution activity

November 2021

Created 5 commits in 1 repository

Created a pull request in GENESIS-EFRC/reaction-network that received 1 comment

Better exclusion for enumerators, slightly faster enumeration, and new pathway plotting

Added new features: Pathway plotting for plotting experimental reaction pathways (still a work in progress) Precursors and targets now behave simi…

+49,583 −1,557 1 comment
Opened 1 other pull request in 1 repository
perssongroup/handbook 1 merged
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