The OPS Ecosystem

One of the things we’re most proud of about OpenPathSampling is that, by developing in a library-based approach, we can have a powerful ecosystem of plugins that users can use without requiring that they be in the core of OpenPathSampling.

A number of such plugins have been developed. Some have since been integrated into the core OPS library. For the packages that haven’t been integrated, we’re happy to advertise their existence here. Note that we can’t guarantee support of these modules, nor have we reviewed their correctness. But they may be useful tools for OPS users.

For developers of external contributions, we encourage you to submit PRs to the OPS documentation to add your modules to this list.

• Maximum Likelihood Optimization of Reaction Coordinates

• Interface Optimization

• Shifting Mover

• Transition State Ensemble Identification

• Web Throwing Mover

• OPSPiggybacker (legacy file translation)

• Annotated Trajectories