/tools/openpathsampling
openpathsampling
openpathsampling/openpathsampling
summary
OpenPathSampling is an open source Python framework designed for transition interface and path sampling calculations. It facilitates molecular dynamics simulations, allowing researchers to explore complex biomolecular systems.
description
An open source Python framework for transition interface and path sampling calculations.
topics
biomolecular-simulationmolecular-dynamicsmolecular-dynamics-simulationmolecular-modelingpath-samplingmonte-carlo
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