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GitHub / openpathsampling 5 repositories

An open source Python framework for path sampling simulations

An open source Python framework for transition interface and path sampling calculations.

Language: Python - Size: 268 MB - Last synced: 22 days ago - Pushed: 3 months ago - Stars: 95 - Forks: 48

Small, topic-focused tutorials for OpenPathSampling

Language: Jupyter Notebook - Size: 1.35 MB - Last synced: about 1 month ago - Pushed: over 2 years ago - Stars: 0 - Forks: 2

Command line tools for OpenPathSampling

Language: Python - Size: 716 KB - Last synced: 12 days ago - Pushed: over 1 year ago - Stars: 3 - Forks: 2

Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling

Language: Jupyter Notebook - Size: 28.7 MB - Last synced: about 1 month ago - Pushed: 3 months ago - Stars: 12 - Forks: 12

Storage for large files needed in OPS tests

Size: 1000 Bytes - Last synced: about 1 month ago - Pushed: 7 months ago - Stars: 0 - Forks: 0

Additional examples illustrating various aspects of OpenPathSampling

Language: Jupyter Notebook - Size: 1.27 MB - Last synced: about 1 month ago - Pushed: over 1 year ago - Stars: 0 - Forks: 1