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Acellera / htmd

HTMD: Programming Environment for Molecular Discovery
https://software.acellera.com/docs/latest/htmd/index.html
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Issue with model._active_set #1075

Closed antoinekoehl closed 6 months ago

antoinekoehl commented 7 months ago

Hi,

Quick question - I'm running into an issue with the Model class. When I instantiate a Model with a MaximumLikelihoodMSM, the call to Model.micro_ofcluster() raises the following error from line 227: micro_ofcluster[self._active_set] = np.arange(len(self._active_set)).

In particular, the error seems to come from the call to Model._active_set which triggers:

AttributeError: 'MaximumLikelihoodMSM' object has no attribute 'count_model'

Looking through the deeptime repo, it does not look like the MaximumLikelihoodMSM ever sets this attribute.

antoinekoehl commented 6 months ago

This is actually a fault in the tutorial I was following - the MaximumLikelihoodMSM object they are loading is out of date. Sorry for the confusion