Arian Rokkum Jamasb | DeepAI

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∙ 11/07/2021

Structure-aware generation of drug-like molecules

Structure-based drug design involves finding ligand molecules that exhib...

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research

∙ 06/29/2021

On Graph Neural Network Ensembles for Large-Scale Molecular Property Prediction

In order to advance large-scale graph machine learning, the Open Graph B...

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