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  1. QMOF Public

    Quantum MOF (QMOF) Database

    Python 44 6

  2. Python script to plot periodic trends as a heat map over the periodic table of elements

    Python 30 9

  3. High-throughput DFT of MOFs using ASE/VASP

    Python 11 6

  4. Python code to initialize adsorbates on MOFs

    Python 3 4

  5. atomate2 Public

    Forked from materialsproject/atomate2

    atomate2 is a library of computational materials science workflows

    Python

  6. Forked from materialsproject/custodian

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

    Roff

347 contributions in the last year

Dec Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Mon Wed Fri
Activity overview
Contributed to materialsproject/custodian, arosen93/QMOF, materialsproject/pymatgen and 5 other repositories
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Contribution activity

December 2021

Created a pull request in materialsproject/pymatgen that received 4 comments

Add missing elements to MPScanRelaxSet PBE .54 potentials

@rkingsbury and @mkhorton: Some elements that are currently in the VASP PAW .54 PBE library have defined pseudopotentials but aren't in the MPScanR…

+11 −3 4 comments
Opened 1 other pull request in 1 repository
materialsproject/atomate2 1 merged
3 contributions in private repositories Dec 2
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