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  1. 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 3

  2. Forked from materialsproject/mrnet

    Mr. Network is a python reaction-network for molecular systems

    Python 1

  3. Forked from materialsproject/custodian

    A simple, robust and flexible just-in-time job management framework in Python.

    Roff 2

  4. Forked from hackingmaterials/atomate

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

    Python 3

  5. Forked from materialsproject/emmet

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

    Python

  6. Redfield / TCL2 Exciton Dynamics Code written by Samuel M. Blau

    Fortran 1 2

302 contributions in the last year

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Contribution activity

May 2021

Created a pull request in materialsproject/pymatgen that received 3 comments

Fix QChem gzipped parsing and add gzipped test

My last PR fixed one QChem parsing problem, but introduced a new one - the zopen call could no longer accommodate gzipped output files. I have fixe…

+3 −3,227 3 comments
Reviewed 3 pull requests in 2 repositories
materialsproject/mrnet 2 pull requests
materialsproject/pymatgen 1 pull request

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