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

A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials

mofdscribe

An ecosystem for digital reticular chemistry

aidsorb

Python package for deep learning on porous materials and beyond.

pymoxel

Python package for parallel calculation of energy voxels.

openpnm-test

A Python package for performing pore network modeling of porous media

poremapper

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

pore2chip

A python package that takes XCT images of porous materials and generates representative digital twin micromodels

retnext

A pretrained model for transfer learning across the MOF adsorption space.