raspalib
Python library for raspa3 (a classical simulation package)
Python library for raspa3 (a classical simulation package)
To install this package, run one of the following:
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.
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
Unsupported Platforms
GitHub Repository
https://github.com/iraspa/raspa3Documentation
https://iraspa.github.io/RASPA3