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5 Results
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Workshop
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Deterministic global optimization for sample-efficient molecular design with generative machine learning Jan Rittig · Malte Franke · Alexander Mitsos |
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Poster
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DePLM: Denoising Protein Language Models for Property Optimization Zeyuan Wang · Keyan Ding · Ming Qin · Xiaotong Li · Xiang Zhuang · Yu Zhao · Jianhua Yao · Qiang Zhang · Huajun Chen |
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Workshop
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Convergence Properties of Hyperbolic Neural Networks on Riemannian Manifolds Nico Alvarado · Sebastian Burgos |
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Workshop
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Adaptive Representation of MOFs in Bayesian Optimization Mahyar Rajabi Kochi · Negareh Mahboubi · Aseem Gill · Mohamad Moosavi |
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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 |