covalent-organic-frameworks

Here are 6 public repositories matching this topic...

lipelopesoliveira / pyCOFBuilder

A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on the reticular approach

machine-learning computational-chemistry materials-science materials-informatics materials-design covalent-organic-frameworks reticular-chemistry

Updated Aug 11, 2026
Python

Chung-Research-Group / PACMAN-charge

Star

A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials

repeat graph-convolutional-networks bader metal-organic-frameworks porous-materials covalent-organic-frameworks partial-atomic-charges ddec06 charge-model-5

Updated Jul 28, 2025
Python

aryandeshwal / BO_of_COFs

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Python code for the paper Bayesian Optimization of Nanoporous Materials.

python bayesian-optimization metal-organic-frameworks covalent-organic-frameworks

Updated Mar 3, 2023
Jupyter Notebook

lsmo-epfl / zeopp-lsmo

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zeo++ fork of the LSMO

zeolites metal-organic-frameworks nanopore-analysis-pipeline covalent-organic-frameworks

Updated Dec 19, 2022
C++

adosar / intellipore-paper

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Repository for the paper "IntelliPore: A Foundation Model for Gas Adsorption in Porous Materials".

Updated Sep 5, 2026
Jupyter Notebook

AC-BO-Hackathon / project-localGPs_for_COF

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This repository contains the code to run local gaussian processes for designing COFs with improved methane deliverable capacity

covalent-organic-frameworks local-gaussian-processes

Updated Apr 2, 2024
Jupyter Notebook

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