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

pymoxel

Python package for parallel calculation of energy voxels.

pacman-charge

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

mofdscribe

An ecosystem for digital reticular chemistry

retnext

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

pore2chip

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

poremapper

No description available

openpnm-test

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