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32 Results
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Workshop
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Molecule-edit templates for efficient and accurate retrosynthesis prediction Mikołaj Sacha · Michał Sadowski · Piotr Kozakowski · Ruard van Workum · Stanislaw Jastrzebski |
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Poster
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Thu 8:45 |
DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening Bowen Gao · Bo Qiang · Haichuan Tan · Yinjun Jia · Minsi Ren · Minsi Lu · Jingjing Liu · Wei-Ying Ma · Yanyan Lan |
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Workshop
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Crossing New Frontiers: Knowledge-Augmented Large Language Model Prompting for Zero-Shot Text-Based De Novo Molecule Design Sagar Srinivas Sakhinana · Venkataramana Runkana |
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Workshop
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Harmonic Prior Self-conditioned Flow Matching for Multi-Ligand Docking and Binding Site Design Hannes Stärk · Bowen Jing · Regina Barzilay · Tommi Jaakkola |
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Workshop
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MolSiam: Simple Siamese Self-supervised Representation Learning for Small Molecules Joshua Yao-Yu Lin |
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Workshop
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Synthon Embeddings for Modeling DNA Encoded Libraries Benson Chen · Mohammad Sultan · Theofanis Karaletsos |
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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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CongFu: Conditional Graph Fusion for Drug Synergy Prediction Oleksii Tsepa · Bohdan Naida · Anna Goldenberg · Bo Wang |
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Workshop
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MolSiam: Simple Siamese Self-supervised Representation Learning for Small Molecules Joshua Yao-Yu Lin · Michael Maser · Nathan Frey · Gabriele Scalia · Omar Mahmood · Pedro O. Pinheiro · Ji Won Park · Stephen Ra · Andrew Watkins · Kyunghyun Cho |
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Workshop
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Order Agnostic Autoregressive Graph Generation Edo Cohen-Karlik · Eyal Rozenberg · Daniel Freedman |
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Workshop
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Molecule Design by Latent Prompt Transformer Deqian Kong · Yuhao Huang · Jianwen Xie · Ying Nian Wu |
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Workshop
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Distributed Reinforcement Learning for Molecular Design: Antioxidant case Huanyi Qin · Denis Akhiyarov · Kenneth Chiu · Mauricio Araya-Polo |