Skip to main content

A simulation package for rare events

Project description

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 and COPYING.LESSER files) easy to use 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-0.6.0.dev0.tar.gz (208.0 kB view details)

Uploaded Source

File details

Details for the file pyretis-0.6.0.dev0.tar.gz.

File metadata

File hashes

Hashes for pyretis-0.6.0.dev0.tar.gz
Algorithm Hash digest
SHA256 2ce3af46725a21476298e430dd0fce1df8d1444d4763c797a1e5ceb3379634b3
MD5 0e018555be21c228cd147835f58c8ff4
BLAKE2b-256 3c044ea4a36efea826a3a7ce067f8d417c4cd2f454b36a4950368407a3f7e947

See more details on using hashes here.

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