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Published 20 hours ago • verified publisher icon brain-research
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Open source implementation of "Neural Message Passing for Quantum Chemistry"

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timeline for qm9 dataset reader and basic trainer

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Hi, thought you guys had a great paper just wondering what the timeline is for the future release that will contain a qm9 dataset reader and basic trainer because I...

mguarin0 avatar mguarin0

@jmgilmer Trying to reach out

@jmgilmer Hi, I'm trying to figure out why this line appears in the code. https://github.com/brain-research/mpnn/blob/4a1f0ddea3cd7de5eebc96e509da2161624aaacd/set2vec.py#L156 It doesn't appear in the MPNN or vinyalis et al. (2016) Order Matters, as far...

hochshi avatar hochshi

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Open source implementation of "Neural Message Passing for Quantum Chemistry"

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