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graph-like molecular data

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Co-occurring keywords · papers mentioning both

atomization energy (1) graph-like data (1) molecular representation (1) invariant representation (1) molecular property prediction (1) molecular representation learning (1) graph neural network (1) quantum-mechanical energy (1) chemical accuracy (1) molecular machine learning (1)

Papers

Learning Invariant Representations of Molecules for Atomization Energy Prediction NeurIPS 2012