For the conversion of crystal systems (as cifs) to LAMMPS inputs
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Updated
Sep 13, 2021 - Python
For the conversion of crystal systems (as cifs) to LAMMPS inputs
An ecosystem for digital reticular chemistry
Python package for parallel calculation of energy voxels.
This GitHub repository contains additional information supporting published manuscripts
A genetic algorithm for powder refinement focused on matching peak positions and unit cell parameters.
A 3D ConvNet for Reticular Chemistry.
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.
MicMec, the first implementation of the micromechanical model, ever.
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.
Split a MOF into its building blocks.
Add a description, image, and links to the metal-organic-frameworks topic page so that developers can more easily learn about it.
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