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Would it be possible to use sub-modules to provide different backends to the neural-fortran interface?
What I have in mind are things like:
* [Intel® oneAPI Deep Neural Network Library](https://so…
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觉主,我对这个DMET的repo比较感兴趣,可否有空给我讲讲?最近在看Garnet Chan 的论文
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Dear Sir,
This might be a very basic issue, however I don't get what I have been doing wrong during the installation process.
I would like to run MetalDock on my computer (windows OS) and thus I…
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Hi,
I am trying to use Fastmap in combination with libvmmalloc or vmem to offload memory for quantum chemistry applications to many nvme-drives. I have gotten libvmmalloc and pmem to work. However, …
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I like this project, but it seems that there's no more updates recently.
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Hi! Great project!
After getting dependencies installed, the download went without errors. But I'm wondering about the result...
https://link.springer.com/search?facet-content-type=%22Book%22&…
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Hi all,
We found the attached compounds are challenging for force field parameterization so we would like to share those data here to 1, see if Openff could parameterize it better. 2, potentially …
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This could be very useful in a lot of contexts, especially in science texts.
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### Team Name:
FPPQT
### Project Description:
In this work our team checks the order of a phase transition in a frustrated Ising model. We took an [article](https://arxiv.org/abs/2110.0512…
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Following the site re-design, it is now straightforward for a user landing on the main page (or main demo page) to find the entry point to the basic demos. However, there is not much guidance on where…