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Poster
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Mon 10:30 |
Graph Condensation for Graph Neural Networks Wei Jin · Lingxiao Zhao · Shichang Zhang · Yozen Liu · Jiliang Tang · Neil Shah |
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Poster
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Thu 2:30 |
Learning to Extend Molecular Scaffolds with Structural Motifs Krzysztof Maziarz · Henry Jackson-Flux · Pashmina Cameron · Finton Sirockin · Nadine Schneider · Nikolaus Stiefl · Marwin Segler · Marc Brockschmidt |
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Spotlight
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Thu 2:30 |
Evaluation Metrics for Graph Generative Models: Problems, Pitfalls, and Practical Solutions Leslie O'Bray · Max Horn · Bastian Rieck · Karsten Borgwardt |
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Poster
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Thu 2:30 |
Evaluation Metrics for Graph Generative Models: Problems, Pitfalls, and Practical Solutions Leslie O'Bray · Max Horn · Bastian Rieck · Karsten Borgwardt |
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Spotlight
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Wed 10:30 |
Amortized Tree Generation for Bottom-up Synthesis Planning and Synthesizable Molecular Design Wenhao Gao · Rocío Mercado · Connor Coley |
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Poster
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Wed 10:30 |
Amortized Tree Generation for Bottom-up Synthesis Planning and Synthesizable Molecular Design Wenhao Gao · Rocío Mercado · Connor Coley |
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Poster
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Thu 2:30 |
Crystal Diffusion Variational Autoencoder for Periodic Material Generation Tian Xie · Xiang Fu · Octavian Ganea · Regina Barzilay · Tommi Jaakkola |
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Spotlight
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Mon 18:30 |
Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-design Wengong Jin · Jeremy Wohlwend · Regina Barzilay · Tommi Jaakkola |
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Poster
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Mon 18:30 |
Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-design Wengong Jin · Jeremy Wohlwend · Regina Barzilay · Tommi Jaakkola |
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Oral
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Tue 1:30 |
Data-Efficient Graph Grammar Learning for Molecular Generation Minghao Guo · Veronika Thost · Beichen Li · Payel Das · Jie Chen · Wojciech Matusik |
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Poster
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Mon 18:30 |
Data-Efficient Graph Grammar Learning for Molecular Generation Minghao Guo · Veronika Thost · Beichen Li · Payel Das · Jie Chen · Wojciech Matusik |
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Poster
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Tue 2:30 |
Top-N: Equivariant Set and Graph Generation without Exchangeability Clément Vignac · Pascal Frossard |