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5 Results
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Poster
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Wed 14:00 |
Reinforced Genetic Algorithm for Structure-based Drug Design Tianfan Fu · Wenhao Gao · Connor Coley · Jimeng Sun |
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Affinity Workshop
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CLOOME: Contrastive Learning for Molecule Representation with Microscopy Images and Chemical Structures Ana Sánchez Fernández · Elisabeth Rumetshofer · Sepp Hochreiter · Günter Klambauer |
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Poster
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Wed 9:00 |
Local Latent Space Bayesian Optimization over Structured Inputs Natalie Maus · Haydn Jones · Juston Moore · Matt Kusner · John Bradshaw · Jacob Gardner |
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Poster
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TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction Wei Lu · Qifeng Wu · Jixian Zhang · Jiahua Rao · Chengtao Li · Shuangjia Zheng |
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Workshop
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MoleculeCLIP: Learning Transferable Molecule Multi-Modality Models via Natural Language Shengchao Liu · Weili Nie · Chengpeng Wang · Jiarui Lu · Zhuoran Qiao · Ling Liu · Jian Tang · Anima Anandkumar · Chaowei Xiao |