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@liamhuber, as we have just discussed please find below a sketch of the envisioned storage concept. The main idea is to have two databases/stores, one for the nodes, macros, workflows (left side) and …
JNmpi updated
2 weeks ago
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Dear Dr. Niklas Gebauer,
I've recently been using your project to train a custom dataset and trying to apply it on new attributes. During this process, I encountered some doubts about property trai…
ldhkc updated
1 month ago
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# Introduction
There have been an emerging trend and great interest in foundation machine learning interatomic potentials (MLIPs/MLFFs) for simulating atomistic systems close to density functional …
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When I try to train the model on QM9 I got an error: ValueError: dictionary update sequence element #0 has length 1; 2 is required. When I try to run the line: trainer.fit(task, datamodule=qm9data)
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**Project details:**
- Project Name: GPUMD
- Github URL: https://gpumd.org/ and https://github.com/brucefan1983/GPUMD
- Category: Interatomic Potentials (ML-IAP)
- Labels: "ml-iap", "lang-cpp"…
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Comment below with questions or thoughts about the reading for [this week's workshop](https://github.com/uchicago-computation-workshop/Winter2020/tree/master/01-09_Boudourides).
Please make your co…
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Dear All,
I am new to the schnetpack. I am training a model using config.yaml files, not doing any scripting in python.
My question:
Is there any directive to write progress of the training,…
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Hi,
I a trying to import some modules from the schnetpack while doing a tutorial (from some years ago).
The code is trying to import SimpleEnvironmentProvider from schnetpack.environment, but I am …
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I am getting the following error at the end of the second part of the first tutorial (https://github.com/atomistic-machine-learning/schnetpack/blob/master/examples/tutorials/tutorial_01_preparing_data…