Comments (3)
@mattwthompson that's correct, that changed upstream, a quick fix here is doing the ugly from openmmtools.utils.utils import find_subclass
. But maybe we just want the complete re-export of all the elements in utils.py
upstream.
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Yup that's what I did - re-exporting everything again might be a good idea, though. It looks like that was attempted (mostly successfully) in that PR.
I'm mostly raising this because it breaks (some part of) Yank, which I can't patch and fire off a release of
from yank.
upstream choderalab/openmmtools#698 was already merged and there's a new 0.23 release of openmmtools in conda-forge. This should be solved now.
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Related Issues (20)
- Load() missing one argument
- pymbar 4 compatibility HOT 1
- I got the following error. HOT 6
- multichain receptor for 'restrained_receptor_atoms'
- Issue with Ligand Coordinates During Absolute-Binding Free Energy
- NetCDF upstream changes breaking Yank (and can't update OpenMMtools)
- problem during absolute binding energy calculation HOT 3
- support for python 3.10? HOT 2
- Issue in Yank's calls to OpenMMTools MultiStateReporter HOT 1
- Question: How to measure simulation time and how much is necessary?
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- unallowed value hdac11-ft895
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- Clarification on why vacuum simulation needed for hydration free energy HOT 2
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