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5 Results
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Workshop
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Small Molecule Optimization with Large Language Models Menua Bedrosian · Philipp Guevorguian · Tigran Fahradyan · Gayane Chilingaryan · Hrant Khachatrian · Armen Aghajanyan |
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Workshop
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Learning to Optimize Molecules with a Chemical Language Model Jarret Ross · Samuel Hoffman · Brian Belgodere · Vijil Chenthamarakshan · Youssef Mroueh · Payel Das |
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Workshop
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Dimension Deficit: Is 3D a Step Too Far for Optimizing Molecules? Andres Guzman-Cordero · Luca Thiede · Gary Tom · Alan Aspuru-Guzik · Felix Strieth-Kalthoff · Agustinus Kristiadi |
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Poster
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Thu 11:00 |
Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization Siyi Gu · Minkai Xu · Alexander Powers · Weili Nie · Tomas Geffner · Karsten Kreis · Jure Leskovec · Arash Vahdat · Stefano Ermon |
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Workshop
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Symmetry-Constrained Generation of Diverse Low-Bandgap Molecules with Monte Carlo Tree Search Akshay Subramanian · James Damewood · Juno Nam · Kevin P. Greenman · Avni Singhal · Rafael Gomez-Bombarelli |