Skip to main content

A simulation package for rare events

Project description

https://gitlab.com/pyretis/pyretis/badges/master/pipeline.svg https://gitlab.com/pyretis/pyretis/badges/master/coverage.svg https://api.codacy.com/project/badge/Grade/5c452c3240574d9b90840e681a4ad3d7 https://badge.fury.io/py/pyretis.svg

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.

Project details


Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

pyretis-2.5.0.tar.gz (1.1 MB view details)

Uploaded Source

Built Distribution

pyretis-2.5.0-py3-none-any.whl (1.4 MB view details)

Uploaded Python 3

File details

Details for the file pyretis-2.5.0.tar.gz.

File metadata

  • Download URL: pyretis-2.5.0.tar.gz
  • Upload date:
  • Size: 1.1 MB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/3.1.1 pkginfo/1.5.0.1 requests/2.23.0 setuptools/46.1.3 requests-toolbelt/0.9.1 tqdm/4.44.1 CPython/3.7.7

File hashes

Hashes for pyretis-2.5.0.tar.gz
Algorithm Hash digest
SHA256 b4b842a83f39e97a9bbf2d9797f53823b9e741b479b5a6744aeb42daf1c7ad2b
MD5 c52b1c7dbb3ad05db8b3f9a387a401aa
BLAKE2b-256 365a9de1be0f31c7c454d8931fec912b6fc174ec0c8b644c149c55ff1c8d15f7

See more details on using hashes here.

Provenance

File details

Details for the file pyretis-2.5.0-py3-none-any.whl.

File metadata

  • Download URL: pyretis-2.5.0-py3-none-any.whl
  • Upload date:
  • Size: 1.4 MB
  • Tags: Python 3
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/3.1.1 pkginfo/1.5.0.1 requests/2.23.0 setuptools/46.1.3 requests-toolbelt/0.9.1 tqdm/4.44.1 CPython/3.7.7

File hashes

Hashes for pyretis-2.5.0-py3-none-any.whl
Algorithm Hash digest
SHA256 6292cb310cceda4c8be81a9019c1e2591d4f8d08c0dcb0b239c0749eb35d7c1d
MD5 0c5fb4cc2e3996901c9a52e05deed7ea
BLAKE2b-256 2d45251ef552ec7e56c7edd66030bdebec17b3007c71cffe111f75f3696423e9

See more details on using hashes here.

Provenance

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page