MolGraph-xLSTM applies xLSTM to atom- and motif-level molecular graphs with a multi-head mixture-of-experts and reports benchmark gains on 10 property prediction datasets.
Nature Machine Intelligence 2(10), 573–584 (2020)
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MolGraph-xLSTM: A graph-based dual-level xLSTM framework with multi-head mixture-of-experts for enhanced molecular representation and interpretability
MolGraph-xLSTM applies xLSTM to atom- and motif-level molecular graphs with a multi-head mixture-of-experts and reports benchmark gains on 10 property prediction datasets.