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Releases: openmm/openmm-cookbook

OpenMM cookbook 0.3

19 May 12:19
998c616
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There are two new tutorials on REST (@zhang-ivy) and Umbrella sampling (@sef43); and a new cookbook entry on computing interaction energies (@peastman).

What's Changed

  • Add tutorial for running REST by @zhang-ivy in #17
  • minor formatting changes by @sef43 in #20
  • Not only querying, but also modifying system parameters by @yuanqing-wang in #18
  • Add CI test for building the website with sphinx by @sef43 in #25
  • Cookbook entry on computing interaction energies by @peastman in #26
  • add umbrella sampling tutorial by @sef43 in #24
  • remove large output by @sef43 in #27

New Contributors

Full Changelog: v0.2...v0.3

OpenMM cookbook 0.2

21 Apr 11:09
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This release splits the openmm.github.io/openmm-cookbook/ page into separate cookbook and tutorials sections.
It contains the existing OpenMM 7 tutorials.

What's Changed

Full Changelog: v0.1...v0.2

OpenMM cookbook 0.1

20 Jan 11:54
3ca5c00
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Release to preserve the current working state of the cookbook with the pre OpenMM-8 cookbook recipes.

Constructor Installers for CondaColab

26 Aug 04:29
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Pre-release

This is not a true release

We support easy execution of our notebooks in Google Colab. To install OpenMM easily in this environment, we use CondaColab. For rapid installation, we provide these installers, which include entire Conda environments prepared for Colab. This "release" simply provides a convenient place to store these artifacts.

To add a new installer:

  1. Update the colab/construct.yaml file in the main branch. Be sure to increment the version number to avoid clashes with existing installers.
  2. Run the colab-construct workflow to construct and upload the resulting installer.