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Workshop
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Extracting human interpretable structure-property relationships in chemistry using XAI and large language models
Geemi Wellawatte · Philippe Schwaller
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Workshop
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Towards Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion
Alex Morehead · Jeffrey Ruffolo · Aadyot Bhatnagar · Ali Madani
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Workshop
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Structure-Conditioned Generative Models for De Novo Ligand Generation: A Pharmacophore Assessment
Shannon Smith · Leo Gendelev · Kangway Chuang · Seth Harris
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Workshop
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Unexplored regions of the protein sequence-structure map revealed at scale by a library of “foldtuned” language models
Arjuna Subramanian · Matt Thomson
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Workshop
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Frame2seq: structure-conditioned masked language modeling for protein sequence design
Deniz Akpinaroglu · Kosuke Seki · Eleanor Zhu · Tanja Kortemme
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Workshop
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PoseCheck: Generative Models for 3D Structure-based Drug Design Produce Unrealistic Poses
Charles Harris · Kieran Didi · Arian Jamasb · Chaitanya K. Joshi · Simon Mathis · Pietro Lió · Tom Blundell
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Workshop
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STRIDE: Structure-guided Generation for Inverse Design of Molecules
Shehtab Zaman · Denis Akhiyarov · Mauricio Araya-Polo · Kenneth Chiu
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Workshop
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PoseCheck: Generative Models for 3D Structure-based Drug Design Produce Unrealistic Poses
Charles Harris · Kieran Didi · Arian Jamasb · Chaitanya K. Joshi · Simon Mathis · Pietro Lió · Tom Blundell
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Workshop
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GraphRAG: Reasoning on Graphs with Retrieval-Augmented LLMs
Zhen Han · Anand Muralidhar · Aditya Degala
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Workshop
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Todyformer: Towards Holistic Dynamic Graph Transformers with Structure-Aware Tokenization
Mahdi Biparva · Raika Karimi · Faezeh Faez · Yingxueff Zhang
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Workshop
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STAR: Improving Low-Resource Information Extraction by Structure-to-Text Data Generation with Large Language Models
Mingyu Derek Ma · Xiaoxuan Wang · Po-Nien Kung · P. Jeffrey Brantingham · Nanyun Peng · Wei Wang
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Poster
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Wed 15:00
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Deep Gaussian Markov Random Fields for Graph-Structured Dynamical Systems
Fiona Lippert · Bart Kranstauber · Emiel van Loon · Patrick Forré
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