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HTMD version #17

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mjag1898 opened this issue Jan 31, 2024 · 1 comment
Open

HTMD version #17

mjag1898 opened this issue Jan 31, 2024 · 1 comment

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@mjag1898
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We have been trying to run '3-Tutorial-CG-Simulation-analysis.ipynb', which requires htmd, but an htmd version does not seem to be provided in environment files in the repo.

The current version of htmd does not seem to be compatible with the provided Markov state models due to a deeptime version incompatibility. Specifically, when we execute:

mweights = computeWeights(refmodel)

we get:

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

We tried reverting to htmd=2.1.5 which was current around the release of this repo. In early December, this fixed the above error, but more recently the import statement at the top of the notebook asks for registration, which then fails:

from htmd.ui import *
->

Registration failed: <html>
<head><title>405 Not Allowed</title></head>
<body>
<center><h1>405 Not Allowed</h1></center>
<hr><center>openresty</center>
</body>
</html>

Do you have a working version of this notebook, and could you provide information on the htmd version and other package versions?
@stefdoerr
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Hi, please try calling export HTMD_NONINTERACTIVE=1 before starting the notebook. That should bypass the old registration check.

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@stefdoerr @mjag1898