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16 Results
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Workshop
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Fri 9:00 |
MolPAL: Software for Sample Efficient High-Throughput Virtual Screening David Graff · Connor Coley |
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Poster
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Learning Causally Invariant Representations for Out-of-Distribution Generalization on Graphs Yongqiang Chen · Yonggang Zhang · Yatao Bian · Han Yang · MA Kaili · Binghui Xie · Tongliang Liu · Bo Han · James Cheng |
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Workshop
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Deep Surrogate Docking: Accelerating Automated Drug Discovery with Graph Neural Networks Ryien Hosseini · Filippo Simini · Austin Clyde · Arvind Ramanathan |
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Poster
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Wed 14:00 |
ToDD: Topological Compound Fingerprinting in Computer-Aided Drug Discovery Andaç Demir · Baris Coskunuzer · Yulia Gel · Ignacio Segovia-Dominguez · Yuzhou Chen · Bulent Kiziltan |