An ecosystem for digital reticular chemistry
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Updated
Nov 14, 2023 - Python
An ecosystem for digital reticular chemistry
Split a MOF into its building blocks.
For the conversion of crystal systems (as cifs) to LAMMPS inputs
A genetic algorithm for powder refinement focused on matching peak positions and unit cell parameters.
MicMec, the first implementation of the micromechanical model, ever.
MOFGalaxyNet aims to create a social network for Metal-Organic Frameworks (MOFs) and predict their properties using Graph Convolutional Networks (GCN). It fosters collaboration and exploration in the field of MOFs through social network analysis and machine learning.
This GitHub repository contains additional information supporting published manuscripts
Files for molecular dynamics simulation of ZIF-8 metal-organic framework with embeded guest molecules.
Files for molecular dynamics simulation of MFM-300 metal-organic frameworks.
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