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Affinity Workshop
Graph-Transformer for Cross-lingual Plagiarism Detection
Oumaima Hourrane
Poster
Wed 14:00 Does GNN Pretraining Help Molecular Representation?
Ruoxi Sun · Hanjun Dai · Adams Wei Yu
Workshop
Chemistry Guided Molecular Graph Transformer
Peisong Niu · Tian Zhou · Qingsong Wen · Liang Sun · Tao Yao
Workshop
A 3D-Shape Similarity-based Contrastive Approach to Molecular Representation Learning
Austin Atsango · Nathaniel Diamant · Ziqing Lu · Tommaso Biancalani · Gabriele Scalia · Kangway Chuang
Workshop
Predicting electrolyte solution properties by combining neural network accelerated molecular dynamics and continuum solvent theory.
Timothy T Duignan · Junji Zhang · Joshua Pagotto
Workshop
Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation
Han Huang · Leilei Sun · Bowen Du · Weifeng Lv
Workshop
Fast protein structure searching using structure graph embeddings
Joe Greener · Kiarash Jamali
Poster
Wed 14:00 Probabilistic Transformer: Modelling Ambiguities and Distributions for RNA Folding and Molecule Design
Jörg Franke · Frederic Runge · Frank Hutter
Workshop
RLCG: When Reinforcement Learning Meets Coarse Graining
Shenghao Wu · Tianyi Liu · Zhirui Wang · Wen Yan · Yingxiang Yang
Poster
Thu 14:00 Modular Flows: Differential Molecular Generation
Yogesh Verma · Samuel Kaski · Markus Heinonen · Vikas Garg
Workshop
Modular Flows: Differential Molecular Generation
Yogesh Verma · Samuel Kaski · Markus Heinonen · Vikas Garg
Workshop
Pre-training via Denoising for Molecular Property Prediction
Sheheryar Zaidi · Michael Schaarschmidt · James Martens · Hyunjik Kim · Yee Whye Teh · Alvaro Sanchez Gonzalez · Peter Battaglia · Razvan Pascanu · Jonathan Godwin