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I'm discussing with @bas-rustenburg (the student heading up the constant-pH work) what setting up a constant-pH simulation should look like to the OpenMM user using the `app` layer. We'd like your in…
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In order to make the most of our time at the [scaling scikit-image sprint](https://scisprints.github.io/#may2-june-joint-scikit-learn-scikit-image-dask-sprint) it might be helpful to prepare some chal…
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Hey @joemans3, thanks for making this package. I just accidentally stumbled upon it.
Wanted to let you know that I also just made a wrapper (https://github.com/tlambert03/fpbasepy or `pip install …
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This is to continue the discussion that started in #3934. On AMD GPUs, the OpenCL platform is sometimes several times slower than the HIP platform. We're trying to figure out why. Much of the slown…
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This file reports an irreducible clique of size 4 that has to be reduced using brute force. Reduce running on this file is very fast (fraction of a second) because it does not have any cliques, only …
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I did quick search on the docs and the github and I found that there wasn't much description of the constraint tolerance parameter. The most information I found was the docstring on Integrator (below…
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(Please correct me if I am misunderstanding any of these components! Thanks @swails for pointing out some of this info appears in the manual.)
The **OpenMM System Tests**, used to test release candi…
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This model is ready for testing. If you are assigned to this issue, please try it out using DockerHub and/or pulling from S3 and let us know if it works!
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Date and time is 28 Feb 2023 19:31
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See:
```
TASK [geerlingguy.kubernetes : Configure Calico networking.] *******************
(https://github.com/geerlingguy/ansible-role-kubernetes/actions/runs/3050168539/jobs/4916977737#step:5:28…