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Schema for the Open Reaction Database

JavaScript 95 27 Updated Sep 27, 2024

Classical molecular simulation code

C 127 83 Updated Jul 13, 2024

Mirror of http://zeoplusplus.org/

C++ 7 4 Updated May 3, 2018

zeo++ fork

C++ 3 Updated May 23, 2018

GFPGAN aims at developing Practical Algorithms for Real-world Face Restoration.

Python 35,723 5,912 Updated Jul 26, 2024

Python library for the construction of porous materials using topology and building blocks.

Python 56 12 Updated Aug 19, 2024
Python 8 Updated Oct 11, 2022

collection of cage structures extracted from the CSD and analyzed

Python 5 Updated Mar 18, 2022

Universal Transfer Learning in Porous Materials, including MOFs.

Python 84 12 Updated Jun 20, 2024

A python package to analyze Molecular Dynamics (MD) trajectories of amorphous Metal-Organic Frameworks (MOFs).

Python 11 1 Updated Aug 29, 2023

A julia package for the manipulation of crystal net representations and topology

Julia 40 3 Updated Sep 17, 2024

A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.

Python 38 9 Updated Aug 20, 2024

Python package for AutoML on Tabular Data with Feature Engineering, Hyper-Parameters Tuning, Explanations and Automatic Documentation

Python 3,031 404 Updated Oct 14, 2024
Jupyter Notebook 1 Updated Feb 12, 2021

The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.

Python 124 25 Updated May 5, 2024

OneDrive Client for Linux

D 10,031 859 Updated Oct 16, 2024

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

Jupyter Notebook 365 79 Updated Oct 10, 2024

Databases of zeolitic structures

7 1 Updated Sep 15, 2020