Index

_ | C | G | N | S | W

_

  • __init__() (perses.storage.NetCDFStorage method)

C

  • close() (perses.storage.NetCDFStorage method)

G

  • get_object() (perses.storage.NetCDFStorage method)

N

  • NetCDFStorage (class in perses.storage)

S

  • sync() (perses.storage.NetCDFStorage method)

W

  • write_array() (perses.storage.NetCDFStorage method)
  • write_configuration() (perses.storage.NetCDFStorage method)
  • write_object() (perses.storage.NetCDFStorage method)
  • write_quantity() (perses.storage.NetCDFStorage method)

perses

A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine

https://secure.travis-ci.org/choderalab/perses.svg?branch=master

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Contents:

  • Installation
  • Changelog
  • Alchemical transformations
  • Bias engine
  • Molecular geometry generation via RJMC
  • Sampler stack
  • Storage handling
  • Analysis

Related Topics

  • Documentation overview

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