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Thanks to the devs for writing a very useful package! One of the most attractive features to me is the compatibility with ForwardDiff, but I can't figure out how to get that to work. I don't see any e…
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Hi,
I'm trying to train a model using forces and energies for silicon, based on the tutorial found here: https://schnetpack.readthedocs.io/en/latest/tutorials/tutorial_03_force_models.html.
The t…
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This request is similar to the request which was formulated in ticket #213: the need is to allow the user to specify several minimum generating power time-series for a given reservoir. To build a give…
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Thanks for your great work!I run your code in some dataset,and have some question.
1.About FPS mentioned in your main paper.I run your code in A40 Server,in replica dataset,about 2000 frames.The ti…
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@rudolph-git-acc
I have added the sawtooth and approximate bounds to the repo here
https://github.com/km-git-acc/dbn_upper_bound/blob/master/dbn_upper_bound/pari/abbeff_largex_bounds.txt
Also, t…
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Hi, I am using this software for my Master's thesis and I want to extract the ELBO (evidence lower bound) and maybe also track it as the training happens. How can do that? For instance I have the snip…
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### Is your feature request related to a problem? Please describe.
This feature request, or better first Request for discussion, is related with the issue described in https://github.com/MarlinFirm…
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## Motivation ##
This project focuses on improving MDAnalysis speed and scalability. I am planning to implement a parallel backend for the MDAnalysis library. The backend is supposed to be implemente…
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Please list any corrections you noticed `typos` doesn't fix and we'll roll these up into a single PR, making it lighter weight for adding new corrections.
Preferred format (for easy copy/pasting):
…
epage updated
3 months ago
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I will continue the discussion here, until or if @keean can get Github to restore the thread. Luckily I still have a copy of the deleted #35 thread loaded, so I can copy and paste from it. If the orig…