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7 Results
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Poster
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Fri 16:30 |
MassSpecGym: A benchmark for the discovery and identification of molecules Roman Bushuiev · Anton Bushuiev · Niek de Jonge · Adamo Young · Fleming Kretschmer · Raman Samusevich · Janne Heirman · Fei Wang · Luke Zhang · Kai Dührkop · Marcus Ludwig · Nils Haupt · Apurva Kalia · Corinna Brungs · Robin Schmid · Russell Greiner · Bo Wang · David Wishart · Liping Liu · Juho Rousu · Wout Bittremieux · Hannes Rost · Tytus Mak · Soha Hassoun · Florian Huber · Justin J.J. van der Hooft · Michael Stravs · Sebastian Böcker · Josef Sivic · Tomáš Pluskal |
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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 |
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Workshop
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SynFlowNet: Towards Molecule Design with Guaranteed Synthesis Pathways Miruna Cretu · Charles Harris · Ilia Igashov · Arne Schneuing · Marwin Segler · Bruno Correia · Julien Roy · Emmanuel Bengio · Pietro Lió |
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Workshop
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MolGen-Transformer: An open-source self-supervised model for Molecular Generation and Latent Space Exploration Chih-Hsuan Yang · Rebekah Duke · Parker Sornberger · Moses Dominic · Chad Risko · Baskar Ganapathysubramanian |
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Poster
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Thu 16:30 |
Conditional Synthesis of 3D Molecules with Time Correction Sampler Hojung Jung · Youngrok Park · Laura Schmid · Jaehyeong Jo · Dongkyu Lee · Bongsang Kim · Se-Young Yun · Jinwoo Shin |
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Workshop
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Sat 14:30 |
3D Multiphase Heterogeneous Microstructure Generation Using Conditional Latent Diffusion Models Nirmal Baishnab · Ethan Herron · Aditya Balu · Soumik Sarkar · Adarsh Krishnamurthy · Baskar Ganapathysubramanian |
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Workshop
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3D Multiphase Heterogeneous Microstructure Generation Using Conditional Latent Diffusion Models Nirmal Baishnab · Ethan Herron · Aditya Balu · Soumik Sarkar · Adarsh Krishnamurthy · Baskar Ganapathysubramanian |