Comments (1)
Implemented in #20
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Related Issues (19)
- Sort out dependencies HOT 1
- Add WESTPA HDF5 framework support to augmentation plugin HOT 1
- Remove all `aggregate` methods
- Handling failed model building HOT 2
- Allow haMSM plugin to use a pre-saved haMSM
- Allow disabling validation models in haMSM plugin HOT 1
- Suppress `openmm` import warnings in code using MDAnalysis HOT 2
- iPCA hangs HOT 2
- Make optimization pcoord extension generic, not SynD specific HOT 1
- Allow optimization at custom intervals
- Remove egregiously duplicated Ray code
- Allow different optimizations at different iterations
- Rewrite clustering using Ray Actors HOT 5
- Implement ray + joblib for accelerated sklearn HOT 1
- Don't assume west.cfg filename
- Parallelism assumes direct `west.h5` file access HOT 1
- Add Ray tests
- Support for multiple basis/target states
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