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.
PyRETIS requires Python 3.11 or newer.
To install the current release:
python -m pip install pyretisThe documentation is available at http://www.pyretis.org and in the docs/ directory of the source tree.
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
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file pyretis-3.0.5.tar.gz.
File metadata
- Download URL: pyretis-3.0.5.tar.gz
- Upload date:
- Size: 1.2 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.2.0 CPython/3.12.13
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
735c6a46b51185345fc9238a6a94ec2a42bedcb780cce9108d2fea4860105eac
|
|
| MD5 |
a185e04fd081ddcb8c0a997f0017545c
|
|
| BLAKE2b-256 |
bba9003ba5788ad8ae076a6785de956ea1ce7237c866d7ec0502b13058b55684
|
File details
Details for the file pyretis-3.0.5-py3-none-any.whl.
File metadata
- Download URL: pyretis-3.0.5-py3-none-any.whl
- Upload date:
- Size: 1.4 MB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.2.0 CPython/3.12.13
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
561318ad6c8700504e44f1f9b4fe68f0f783b43d5fbad62543c4d05b5fd422e7
|
|
| MD5 |
b96c4b938e506831e5eb3aab91feba62
|
|
| BLAKE2b-256 |
764b54f048fd769f6174ffa3df75e932c4b79406fe2262ffe12498b04307c092
|
