https://github.com/vincentstimper/boltzmann-generators
Implementation of methods to sample from Boltzmann distributions
https://github.com/vincentstimper/boltzmann-generators
Last synced: 3 months ago
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Implementation of methods to sample from Boltzmann distributions
- Host: GitHub
- URL: https://github.com/vincentstimper/boltzmann-generators
- Owner: VincentStimper
- License: mit
- Created: 2020-03-13T11:32:11.000Z (over 5 years ago)
- Default Branch: master
- Last Pushed: 2023-01-24T14:41:12.000Z (over 2 years ago)
- Last Synced: 2025-07-19T06:28:17.269Z (3 months ago)
- Language: Python
- Size: 2.53 MB
- Stars: 20
- Watchers: 1
- Forks: 2
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE
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README
# Implementing Boltzmann generators with [`normflows`](https://github.com/VincentStimper/normalizing-flows)
This package comprises several tools to train Boltzmann generators,
i.e. normalizing flows approximating Boltzmann distributions. It
uses and extends the
[`normflows`](https://github.com/VincentStimper/normalizing-flows) package.
To compute the Boltzmann distribution, the [OpenMM](https://openmm.org/)
Python library is applied.
## Methods of Installation
The latest version of the package can be installed via pip
```
pip install --upgrade git+https://github.com/VincentStimper/boltzmann-generators.git
```