Meiler, Jens

3 publications

NeurIPS 2024 WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking Yunchao Liu, Ha Dong, Xin Wang, Rocco Moretti, Yu Wang, Zhaoqian Su, Jiawei Gu, Bobby Bodenheimer, Charles David Weaver, Jens Meiler, Tyler Derr

AAAI 2023 Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery Yunchao Liu, Yu Wang, Oanh Vu, Rocco Moretti, Bobby Bodenheimer, Jens Meiler, Tyler Derr

NeurIPS 2016 Protein Contact Prediction from Amino Acid Co-Evolution Using Convolutional Networks for Graph-Valued Images Vladimir Golkov, Marcin J Skwark, Antonij Golkov, Alexey Dosovitskiy, Thomas Brox, Jens Meiler, Daniel Cremers