Jens Meiler
3 papers · 2016–2024 · 2 venues · across top CS/AI venues
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Achievements
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π Conference Polyglot Β· Bronze π Academic Marathon Β· Sprint π Interdisciplinary Bridge Β· Silver πΊοΈ Taxonomy Completionist (16) π£ Hot Topic Early Bird
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Keywords
graph neural network
(2)
drug discovery
(2)
protein structure prediction
(1)
convolutional network
(1)
benchmark dataset
(1)
molecular property
(1)
molecular representation
(1)
virtual screening
(1)
molecule property prediction
(1)
dataset curation
(1)
protein structure
(1)
molecular property prediction
(1)
molecular representation learning
(1)
benchmarking framework
(1)
contact prediction
(1)
quantitative structure activity relationship
(1)
molecular chirality
(1)
small molecule drug discovery
(1)
protein contact map
(1)
molecular kernel
(1)
Papers
WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking
NeurIPS 2024
Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery
AAAI 2023
Protein contact prediction from amino acid co-evolution using convolutional networks for graph-valued images
NeurIPS 2016