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32 Results
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Workshop
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Target Conditioned GFlowNet for Drug Design Tony Shen · Mohit Pandey · Martin Ester |
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Workshop
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Target Conditioned GFlowNet for Drug Design Tony Shen · Mohit Pandey · Martin Ester |
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Workshop
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Offline RL for generative design of protein binders Denis Tarasov · Ulrich Armel Mbou Sob · Miguel Arbesú · Nima Siboni · Sebastien Boyer · Andries Smit · Oliver Bent · Arnu Pretorius · Marcin Skwark |
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Workshop
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Targeting tissues via dynamic human systems modeling in generative design Zachary Fox · Nolan English · Belinda S Akpa |
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Workshop
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Fri 8:30 |
Invited Talk 2 - Marinka Zitnik (Harvard) - Foundation Models for Molecular Drug Design and Clinical Drug Development |
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Poster
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Thu 15:00 |
GAUCHE: A Library for Gaussian Processes in Chemistry Ryan-Rhys Griffiths · Leo Klarner · Henry Moss · Aditya Ravuri · Sang Truong · Yuanqi Du · Samuel Stanton · Gary Tom · Bojana Rankovic · Arian Jamasb · Arian Jamasb · Aryan Deshwal · Julius Schwartz · Austin Tripp · Gregory Kell · Simon Frieder · Anthony Bourached · Alex Chan · Jacob Moss · Chengzhi Guo · Johannes Peter Dürholt · Saudamini Chaurasia · Ji Won Park · Felix Strieth-Kalthoff · Alpha Lee · Bingqing Cheng · Alan Aspuru-Guzik · Philippe Schwaller · Jian Tang |
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Poster
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Thu 15:00 |
Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design AkshatKumar Nigam · Robert Pollice · Gary Tom · Kjell Jorner · John Willes · Luca Thiede · Anshul Kundaje · Alan Aspuru-Guzik |
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Poster
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Wed 15:00 |
Full-Atom Protein Pocket Design via Iterative Refinement ZAIXI ZHANG · Zepu Lu · Hao Zhongkai · Marinka Zitnik · Qi Liu |
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Workshop
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Offline RL for generative design of protein binders Denis Tarasov · Ulrich Armel Mbou Sob · Miguel Arbesú · Nima Siboni · Sebastien Boyer · Andries Smit · Oliver Bent · Arnu Pretorius · Marcin Skwark |
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Workshop
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Generative design for gene therapy: An validated method Farhan Damani · David Brookes · Jeffrey Chan · Rishi Jajoo · Alexander Mijalis · Joyce Samson · Flaviu Vadan · Cameron Webster · Stephen Malina · Sam Sinai |
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Workshop
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Automating reward function configuration for drug design Temitope Ajileye · Paul Gainer · Marius Urbonas · Douglas Pires |
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Workshop
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Ab-DeepGA: A generative modeling framework leveraging deep learning for antibody affinity tuning BoRam Lee · Yara Seif · Kevin Teng · Xiao Xiao · Isha Verma · Ming-Tang Chen · Alan Cheng |