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raspalib

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Python library for raspa3 (a classical simulation package)

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::raspalib

Usage Tracking

3.0.28
3.0.27
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3.0.25
3.0.24
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Downloads (Last 6 months): 0

Description

RASPA is a software package for simulating adsorption and diffusion of molecules in flexible nanoporous materials. The code implements the latest state-of-the-art algorithms for Molecular Dynamics and Monte Carlo in various ensembles including symplectic/measure-preserving integrators, Ewald summation, Configurational-Bias Monte Carlo, Continuous Fractional Component Monte Carlo, and Reactive Monte Carlo.

About

Summary

Python library for raspa3 (a classical simulation package)

Last Updated

May 3, 2026 at 15:43

License

MIT

Supported Platforms

macOS-arm64
macOS-64
win-64
linux-64
linux-aarch64
linux-ppc64le