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68 Results
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Poster
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Wed 15:00 |
Predicting a Protein's Stability under a Million Mutations Jeffrey Ouyang-Zhang · Daniel Diaz · Adam Klivans · Philipp Kraehenbuehl |
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Poster
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Thu 15:00 |
Uncovering Neural Scaling Laws in Molecular Representation Learning Dingshuo Chen · Yanqiao Zhu · Jieyu Zhang · Yuanqi Du · Zhixun Li · Qiang Liu · Shu Wu · Liang Wang |
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Poster
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Thu 15:00 |
Benchmark of Machine Learning Force Fields for Semiconductor Simulations: Datasets, Metrics, and Comparative Analysis Geonu Kim · Byunggook Na · Gunhee Kim · Hyuntae Cho · Seungjin Kang · Hee Sun Lee · Saerom Choi · Heejae Kim · Seungwon Lee · Yongdeok Kim |
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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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Tue 8:45 |
Evaluating Self-Supervised Learning for Molecular Graph Embeddings Hanchen Wang · Jean Kaddour · Shengchao Liu · Jian Tang · Joan Lasenby · Qi Liu |
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Poster
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Thu 15:00 |
Lo-Hi: Practical ML Drug Discovery Benchmark Simon Steshin |
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Poster
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Wed 15:00 |
AVIDa-hIL6: A Large-Scale VHH Dataset Produced from an Immunized Alpaca for Predicting Antigen-Antibody Interactions Hirofumi Tsuruta · Hiroyuki Yamazaki · Ryota Maeda · Ryotaro Tamura · Jennifer Wei · Zelda Mariet · Poomarin Phloyphisut · Hidetoshi Shimokawa · Joseph R. Ledsam · Lucy Colwell · Akihiro Imura |
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Poster
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Thu 15:00 |
ProteinShake: Building datasets and benchmarks for deep learning on protein structures Tim Kucera · Carlos Oliver · Dexiong Chen · Karsten Borgwardt |
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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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Poster
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Wed 8:45 |
Timewarp: Transferable Acceleration of Molecular Dynamics by Learning Time-Coarsened Dynamics Leon Klein · Andrew Foong · Tor Fjelde · Bruno Mlodozeniec · Marc Brockschmidt · Sebastian Nowozin · Frank Noe · Ryota Tomioka |
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Poster
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Thu 8:45 |
Prefix-Tree Decoding for Predicting Mass Spectra from Molecules Samuel Goldman · John Bradshaw · Jiayi Xin · Connor Coley |
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Poster
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Tue 8:45 |
AbDiffuser: full-atom generation of in-vitro functioning antibodies Karolis Martinkus · Jan Ludwiczak · WEI-CHING LIANG · Julien Lafrance-Vanasse · Isidro Hotzel · Arvind Rajpal · Yan Wu · Kyunghyun Cho · Richard Bonneau · Vladimir Gligorijevic · Andreas Loukas |