Jonathan Schmidt

Multi-GPU support exists❓ [QUESTION]

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We are interested in training nequip potentials on large datasets of several million structures. Consequently we wanted to know whether multi-gpu support exists or if someone knows whether the networks...

Hello, I was looking through the code as it is a very instructive code and I noticed that you were using the dist_mat_vec matrix which I assumed to be the...

Hey there :wave: Just wanted to let you know that [your app on Streamlit Cloud deployed from this repo](https://share.streamlit.io/tom-doerr/dalle_flow_streamlit/main) has gone over its resource limits. Access to the app is...

I am trying to search for journals by category and all my queries returned no results. Now I tried one of the examples https://github.com/digital-science/dimensions-api-lab/blob/98db4f031f25987df683f9503a221d330fd17f64/archive/2021-05-Honda/2021-05-Honda.ipynb#L841 also with a total count of...

[WIP] Input set tutorial

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## Summary This is a first draft of additional documentation for the InputSets/Generators in atomate2. @utf It would be great if you can give me some feedback whether this is...

[Feature Request]: Larger than memory datasets.

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### Problem Now that multi-gpu training is working we are very interested in training on some larger crystal structure datasets. However, the datasets do not fit into the RAM. It...

When reading the optimade paper I saw a mention of Xerus and was wondering if it might be interesting for you to include the Alexandria database https://alexandria.icams.rub.de/ . It's basically...