Adsorption Python Packages

adsorption

The Python package for the adsorption of molecules on clusters or surfaces.

pygaps

A framework for processing adsorption data and isotherm fitting

graphenetools-py

Tools for generating parameters for helium on uniaxially strained graphene simulations using quantum Monte Carlo software hosted at https://code.delmaestro.org and plots of the helium graphene interaction

beatmap

BET surface area analysis from adsorption data

retnext

A pretrained model for transfer learning across the MOF adsorption space

wetmetal

Trajectory analytics for adsorption at the metal-electrolyte interface