Porous Materials Python Packages

openpnm

A Python package for performing pore network modeling of porous media

porespy

A set of tools for characterizing and analyzing 3D images of porous materials

spindry

Low-cost host-guest conformer generation

pacman-charge

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

mofdscribe

An ecosystem for digital reticular chemistry

retnext

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

pymoxel

Python package for parallel calculation of energy voxels.

poremapper

cavity shape and size mapping by growing a guest inside a host

openpnm-test

A framework for conducting pore network modeling simulations of multiphase transport in porous materials

pore2chip

A package that takes 3D images of porous materials and generates representative micromodels