A simulation package for rare events
Project description
PyRETIS
PyRETIS is a library for rare event simulations with emphasis on methods based on transition interface sampling replica exchange transition interface sampling.
PyRETIS is open source (see the COPYING file) and can be interfaced with other simulation packages such as GROMACS or CP2K.
The documentation is located at http://www.pyretis.org or it can found in the docs directory of the source code.
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
pyretis-2.0.3.tar.gz
(521.8 kB
view details)
Built Distribution
pyretis-2.0.3-py3-none-any.whl
(857.1 kB
view details)
File details
Details for the file pyretis-2.0.3.tar.gz.
File metadata
- Download URL: pyretis-2.0.3.tar.gz
- Upload date:
- Size: 521.8 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/1.13.0 pkginfo/1.5.0.1 requests/2.21.0 setuptools/40.8.0 requests-toolbelt/0.9.1 tqdm/4.31.1 CPython/3.7.2
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 7f2367fe031c8c9623527e9de8c76de32ae2d865453b9797fe7a62209fba066e |
|
| MD5 | 3d7ca01a8595a6d7744f031eed7475ec |
|
| BLAKE2b-256 | 6ded6ab5cb9eee08feaed33f79af2c8eb8e95106947dc5b193d2a7dff1e8708e |
File details
Details for the file pyretis-2.0.3-py3-none-any.whl.
File metadata
- Download URL: pyretis-2.0.3-py3-none-any.whl
- Upload date:
- Size: 857.1 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/1.13.0 pkginfo/1.5.0.1 requests/2.21.0 setuptools/40.8.0 requests-toolbelt/0.9.1 tqdm/4.31.1 CPython/3.7.2
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 4f0d1d534b88af18e1f0af4babee35611a958f0d3f2afa546cb9a5490a6fbcde |
|
| MD5 | a6df89f4c7480f7bd1d29b3b8730ad17 |
|
| BLAKE2b-256 | 2cb79622b972f17fe266e9b7528a78faf1fb8296ba1047a0bf1a48d763323cd6 |
