OpenPathSampling (@pathsampling) profile picture

OpenPathSampling

@pathsampling

A Python package for path sampling simulations.

openpathsampling.org
Joined July 2017
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In part 2 of our 3-part tutorial about our new storage system and our CLI, @davidswenson shows you how to use the OPS command line interface to get from a single snapshot to running RETIS simulations. Check it out! youtube.com/watch?v=VGN-NfuZ…
SimStore and the OpenPathSampling CLI (part 2) [Mini-Tutorial]

SimStore and the OpenPathSampling CLI (part 2) [Mini-Tutorial]

This is part 2 in a 3-part series on our new storage subsystem, Sim...

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Check out part 1 of a 3-part tutorial about our new storage (SimStore) and our CLI. In this one, @davidswenson tells you how to set up a simulation that uses SimStore. Parts 2 and 3 coming soon! youtube.com/watch?v=IAipZfZp…
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