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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

3.0.21
3.0.20
3.0.19
3.0.18
3.0.17
5 / 8 versions selected
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

Jan 21, 2026 at 15:40

License

MIT

Total Downloads

140.9K

Version Downloads

1.2K

Supported Platforms

macOS-64
macOS-arm64
linux-64
win-64

Unsupported Platforms

linux-aarch64 Last supported version: 3.0.15
linux-ppc64le Last supported version: 3.0.15