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@geem-lab

Molecular Electronic Structure Group

⚛️📈 Molecular Electronic Structure Group
README.md

Welcome ⚛️

Welcome to the GEEM lab!

We are located in the Department of Chemistry at the Federal University of Santa Catarina, Florianópolis, Brazil.

We are committed to shedding light on the physical nature of unusual bonding situations, particularly those that take part in molecular recognition and self-assembly processes, materials, and transition metal complexes.

This GitHub organization and the website are oriented toward people interested in computational chemistry and its applications, providing them with a glimpse of our ongoing research activities and ourselves.

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  1. overreact overreact Public

    ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.

    Python 51 10

  2. overreact-guide overreact-guide Public

    ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data

    Jupyter Notebook 8 3

  3. pnictogen pnictogen Public

    ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages

    Python 17 4

  4. orcinus orcinus Public

    🧰 A simple yet precise graphical user interface for making inputs for the ORCA quantum chemistry package

    Python 7 2

  5. docker-hpc docker-hpc Public

    💾 Dockerfiles for software commonly used in computational chemistry research and development

    Dockerfile 9 1

  6. seminars seminars Public

    GEEM lab group seminars

    Python 5

Repositories

Showing 10 of 13 repositories
  • ccinput Public Forked from cyllab/ccinput

    Computational Chemistry Input Generator

    geem-lab/ccinput’s past year of commit activity
    Python 1 BSD-3-Clause 7 0 0 Updated Nov 17, 2024
  • overreact Public

    ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.

    geem-lab/overreact’s past year of commit activity
    Python 51 MIT 10 14 (2 issues need help) 5 Updated Nov 15, 2024
  • seminars Public

    GEEM lab group seminars

    geem-lab/seminars’s past year of commit activity
    Python 5 MIT 0 0 1 Updated Oct 25, 2024
  • geem-lab.github.io Public

    webpage of GEEM group

    geem-lab/geem-lab.github.io’s past year of commit activity
    0 0 0 0 Updated Nov 9, 2023
  • .github Public

    Organization profile

    geem-lab/.github’s past year of commit activity
    0 MIT 0 0 0 Updated Aug 19, 2023
  • overreact-data Public

    Data used for testing overreact. Includes data related to a manuscript in preparation.

    geem-lab/overreact-data’s past year of commit activity
    3 2 1 0 Updated Feb 16, 2023
  • overreact-guide Public

    ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data

    geem-lab/overreact-guide’s past year of commit activity
    Jupyter Notebook 8 MIT 3 4 0 Updated Jan 4, 2023
  • cluster-guide Public

    Documentation of the most useful resources of our cluster

    geem-lab/cluster-guide’s past year of commit activity
    CSS 4 MIT 1 3 1 Updated Jun 24, 2022
  • geem-ufsc Public
    geem-lab/geem-ufsc’s past year of commit activity
    0 0 0 0 Updated May 23, 2022
  • docker-hpc Public

    💾 Dockerfiles for software commonly used in computational chemistry research and development

    geem-lab/docker-hpc’s past year of commit activity
    Dockerfile 9 GPL-3.0 1 2 0 Updated Jan 18, 2022
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