Metal Organic Frameworks Python Packages

pacman-charge

Partial Atomic Charges for Porous Materials based on Graph Convolutional Neural Network (PACMAN)

mofclassifier

A Machine Learning Approach for Validating Computation-Ready Metal-Organic Frameworks

mofdscribe

An ecosystem for digital reticular chemistry

aidsorb

Python package for deep learning on molecular point clouds.

fairmofsyncondition

A robust Python module for predicting the synthesis conditions of MOFs. It determines potential crystal structures and thermodynamic stability from a set of reagents or recommends optimal synthesis conditions based on given crystal structures.

moffragmentor

Split a MOF into its building blocks.

retnext

A lightweight package for deep learning on 3D energy images of porous materials

pymoxel

Python package for parallel calculation of energy voxels.

mofsyncondition

A python module for extracting synthesis conditions of metal-organic frameworks directly from journal articles

en-mof-chem-ner

A python module for extracting synthesis conditions of metal-organic frameworks directly from journal articles