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3D Infomax improves GNNs for Molecular Property Prediction.
Hannes Stärk
Dominique Beaini
Gabriele Corso
Prudencio Tossou
Christian Dallago
Stephan Günnemann
Pietro Lió
Published in:
ICML (2022)
Keyphrases
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prediction accuracy
drug design
prediction model
desirable properties
prediction algorithm
database
databases
neural network
three dimensional
drug discovery
protein function prediction
molecular structure