fabulous-pathsΒΆ
fabulous-paths connects OpenPathSampling, a package for path sampling
simulations, to FABULOUS, a machine learning approach to identify important
collective variables in transitions.
This package is just the glue between those two projects. Most of the documentation can be found in the individual packages. The documentation includes details on how to use this code as a library and specifics of the OpenPathSampling CLI plugin.
To install fabulous-paths just ???. You can verify that the installation
worked by running the command openpathsampling fabulous --help.
Details on how to use OpenPathSampling to perform path sampling simulations can be found in the OpenPathSampling documentation. Details on how to use FABULOUS to extract important CVs from path sampling data can be found in the documentation for FABULOUS.