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@uowoolab

uOttawa Woo Lab

The Lab of Professor Tom Woo at the University of Ottawa

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  1. TheWooLabProjects TheWooLabProjects Public

Repositories

Showing 10 of 13 repositories
  • REPEAT-Assigner Public
    uowoolab/REPEAT-Assigner’s past year of commit activity
    Python 1 GPL-3.0 0 0 0 Updated Apr 5, 2024
  • MEPO-ML Public

    A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.

    uowoolab/MEPO-ML’s past year of commit activity
    Python 1 GPL-3.0 0 0 0 Updated Apr 4, 2024
  • PCCC-MOF-Adsorption-Model Public

    This is a machine learning model to predict adsorption properties (CO2 working capacity and CO2/N2 selectivity) of MOFs under post-combustion carbon capture conditions. The model was trained on the ARC-MOF database.

    uowoolab/PCCC-MOF-Adsorption-Model’s past year of commit activity
    Python 5 MIT 1 0 0 Updated Oct 9, 2023
  • CSD-cleaner Public

    Retrieve, clean, and convert CSD entries to CIFs with P1 symmetry

    uowoolab/CSD-cleaner’s past year of commit activity
    Python 2 0 0 0 Updated Jun 26, 2023
  • REPEAT Public

    This is a code to generate Repeating Electrostatic Potential Extracted ATomic (REPEAT) charges to periodic systems.

    uowoolab/REPEAT’s past year of commit activity
    C 7 MIT 2 0 0 Updated Dec 20, 2022
  • FastMC Public
    uowoolab/FastMC’s past year of commit activity
    Fortran 1 0 1 0 Updated Dec 18, 2022
  • Conversion-Codes Public

    Codes to perform file conversions

    uowoolab/Conversion-Codes’s past year of commit activity
    Python 0 0 0 0 Updated Aug 12, 2022
  • MOF-Descriptor-Codes Public

    A repository of codes to compute MOF descriptors

    uowoolab/MOF-Descriptor-Codes’s past year of commit activity
    Python 6 0 0 0 Updated Aug 9, 2022
  • MOF-Diversity-Analysis Public

    This is a database of ~280,000 MOFs which have been either experimentally characterized or computationally generated, spanning all publicly available MOF databases. DFT-derived REPEAT charges are available for all MOFs

    uowoolab/MOF-Diversity-Analysis’s past year of commit activity
    Python 5 0 0 0 Updated Aug 8, 2022
  • tobascco Public Forked from peteboyd/tobascco
    uowoolab/tobascco’s past year of commit activity
    Python 2 GPL-2.0 5 0 0 Updated Jul 7, 2022
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