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Published 20 hours ago • verified publisher icon atomistic-machine-learning
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G-SchNet extension for SchNetPack

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Some confusion about training other properties on custom data

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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...

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verified publisher icon atomistic-machine-learning

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G-SchNet extension for SchNetPack

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