Molecular Electronic Structure Group

⚛️📈 Molecular Electronic Structure Group

27 followers
Florianópolis, Brazil
https://geem-lab.github.io/

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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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overreact overreact Public

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

Python 64 10
overreact-guide overreact-guide Public

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

Jupyter Notebook 9 4
pnictogen pnictogen Public

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

Python 18 4
orcinus orcinus Public

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

Python 8 2
docker-hpc docker-hpc Public

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

Dockerfile 9 1
seminars seminars Public

GEEM lab group seminars

Python 5

Repositories

Type Language Sort

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 64 MIT 10 15 (2 issues need help) 2 Updated Aug 27, 2026
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

KFramework 3 3 1 1 Updated Aug 26, 2026
seminars Public
GEEM lab group seminars

geem-lab/seminars's past year of commit activity

Python 5 MIT 0 0 0 Updated Aug 25, 2026
ccinput Public Forked from cyllab/ccinput
Computational Chemistry Input Generator

geem-lab/ccinput's past year of commit activity

Python 1 BSD-3-Clause 10 0 0 Updated Jun 11, 2026
geemm-lab.github.io Public
webpage of GEEMM group

geem-lab/geemm-lab.github.io's past year of commit activity

0 0 0 0 Updated May 7, 2026
.github Public
Organization profile

geem-lab/.github's past year of commit activity

0 MIT 0 0 0 Updated Aug 19, 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 9 MIT 4 5 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 3 0 Updated Jan 18, 2022