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MSMBuilder 3.8.0

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@brookehus brookehus released this 27 Apr 03:47
· 165 commits to master since this release
3.8.0
7d1bb6c

We're pleased to annoounce the release of MSMBuilder 3.8. This release features updates and improvements to contact featurizers, kernel tICA, HMMs, and preprocessing. There are also some bugfixes and API hygiene improvements. We recommend all users upgrade to MSMBuilder 3.8.

New Features

  • ContactFeaturizer now lets you use a soft_min option for closest contact distances.

Improvements

  • The stride parameter in KernelTICA now works as intended to automatically generate a set of landmark points (gh-972).
  • The contacts parameter in CommonContactFeaturizer now performs as the contacts method in regular ContactFeaturizer albeit after validating all the contacts.
  • GaussianHMM and VonMisesHMM are now compatible with sklearn.pipeline.Pipeline workflows (gh-980).
  • msmbuilder.preprocessing is now compatible with sklearn.pipeline.Pipeline workflows (gh-987).
  • Fixed error in pickling HMMs (gh-996).
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