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 files for pyretis 3.0.5
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | |
|---|---|---|---|---|
| pyretis-3.0.5.tar.gz | 1.2 MB | Without provenance | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| pyretis-3.0.5-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 2.6 MB
Release files / pyretis-3.0.5.tar.gz
| Download URL | pyretis-3.0.5.tar.gz |
|---|---|
| Size | 1.2 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
735c6a46b51185345fc9238a6a94ec2a42bedcb780cce9108d2fea4860105eac
|
|
BLAKE2b-256 checksum How to use checksums |
bba9003ba5788ad8ae076a6785de956ea1ce7237c866d7ec0502b13058b55684
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.12.13
|
Release files / pyretis-3.0.5-py3-none-any.whl
| Download URL | pyretis-3.0.5-py3-none-any.whl |
|---|---|
| Size | 1.4 MB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
561318ad6c8700504e44f1f9b4fe68f0f783b43d5fbad62543c4d05b5fd422e7
|
|
BLAKE2b-256 checksum How to use checksums |
764b54f048fd769f6174ffa3df75e932c4b79406fe2262ffe12498b04307c092
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.12.13
|
Security for pyretis 3.0.5
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
No provenance found
None of the files in this release were uploaded with provenance metadata.
A note on package security
PyPI is a repository for distributing packages, not a service for auditing them. While third-party security researchers and our staff do their best to detect and remove malicious packages, PyPI cannot guarantee the quality, security or suitability of any given package.
