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Medford Group

Computational chemistry, data science, and catalysis

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  1. data_analytics_ChE data_analytics_ChE Public

    Repository for notes and exercises for ChBE 4745/6745 - Data Analytics for Chemical Engineers.

    Jupyter Notebook 32 30

  2. RYODFT RYODFT Public

    Roll-your-own Density Functional Theory

    Jupyter Notebook 9 5

  3. data_analytics_for_engineers data_analytics_for_engineers Public

    Public portion of COE 3803 "Data Analytics for Engineers" course at Georgia Tech.

    Jupyter Notebook 9 5

  4. TAPsolver TAPsolver Public

    Simulation and Analysis Tool for TAP Reactor Systems

    Python 8 4

  5. bdqm-vip bdqm-vip Public

    Jupyter Notebook 7 10

  6. lammps_interface lammps_interface Public

    A barebones interface for lammps

    Python 6 5

Repositories

Showing 10 of 42 repositories
  • data_analytics_ChE Public

    Repository for notes and exercises for ChBE 4745/6745 - Data Analytics for Chemical Engineers.

    medford-group/data_analytics_ChE’s past year of commit activity
    Jupyter Notebook 32 30 0 0 Updated Sep 25, 2024
  • training-materials Public

    Contains grad-student and VIP training materials. Interactive jupyter notebooks as well as a static jupyter-book.

    medford-group/training-materials’s past year of commit activity
    Jupyter Notebook 0 GPL-3.0 3 0 1 Updated Sep 17, 2024
  • kinn-tap Public

    TAP Reactor Modeling through Kinetics-informed Neural Networks

    medford-group/kinn-tap’s past year of commit activity
    Jupyter Notebook 2 GPL-3.0 0 0 0 Updated Sep 12, 2024
  • TAPsolver Public

    Simulation and Analysis Tool for TAP Reactor Systems

    medford-group/TAPsolver’s past year of commit activity
    Python 8 GPL-2.0 4 0 0 Updated Jan 3, 2024
  • Screening-Metal-Compound-Active-Sites-N2-Adsorption Public Forked from medford-group/metal_oxides_screening_for_photocatalytic_nitrogen_fixation

    Repository for data and scripts associated with manuscript.

    medford-group/Screening-Metal-Compound-Active-Sites-N2-Adsorption’s past year of commit activity
    Jupyter Notebook 1 1 0 0 Updated Oct 25, 2023
  • bdqm-vip Public
    medford-group/bdqm-vip’s past year of commit activity
    Jupyter Notebook 7 10 0 1 Updated Aug 22, 2023
  • metal_oxides_screening_for_photocatalytic_nitrogen_fixation Public

    Repository for screening data

    medford-group/metal_oxides_screening_for_photocatalytic_nitrogen_fixation’s past year of commit activity
    Jupyter Notebook 0 1 0 0 Updated Jun 30, 2023
  • kinn Public Forked from gusmaogabriels/kinn

    Kinetics-Informed Neural Networks

    medford-group/kinn’s past year of commit activity
    Jupyter Notebook 0 GPL-3.0 5 0 0 Updated Apr 23, 2023
  • amptorch Public Forked from ulissigroup/amptorch

    AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch

    medford-group/amptorch’s past year of commit activity
    C++ 1 GPL-3.0 35 0 0 Updated Jan 23, 2023
  • dft-training Public

    Training materials for computing adsorption energies and other quantities with DFT

    medford-group/dft-training’s past year of commit activity
    Jupyter Notebook 2 GPL-3.0 4 1 0 Updated Jan 13, 2023
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