Keir Adams - RankMe

11 papers A* 4Journal 7

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems. Found. Trends Mach. Learn. Xuan Zhang, Limei Wang, Jacob Helwig, Youzhi Luo, Cong Fu, Yaochen Xie, Meng Liu, Yuchao Lin, Zhao Xu, Keqiang Yan, Keir Adams, Maurice Weiler, Xiner Li, Tianfan Fu, Yucheng Wang, Alex Strasser, Haiyang Yu, Yuqing Xie, Xiang Fu, Shenglong Xu, Yi Liu, Yuanqi Du, Alexandra Saxton, Hongyi Ling, Hannah Lawrence, Hannes Stärk, Shurui Gui, Carl Edwards, Nicholas Gao, Adriana Ladera, Tailin Wu, Elyssa F. Hofgard, Aria Mansouri Tehrani, Rui Wang, Ameya Daigavane, Montgomery Bohde, Jerry Kurtin, Qian Huang, Tuong Phung, Minkai Xu, Chaitanya K. Joshi, Simon V. Mathis, Kamyar Azizzadenesheli, Ada Fang, Alán Aspuru-Guzik, Erik J. Bekkers, Michael M. Bronstein, Marinka Zitnik, Anima Anandkumar, Stefano Ermon, Pietro Liò, Rose Yu, Stephan Günnemann, Jure Leskovec, Heng Ji, Jimeng Sun, Regina Barzilay, Tommi S. Jaakkola, Connor W. Coley, Xiaoning Qian, Xiaofeng Qian, Tess E. Smidt, Shuiwang Ji
2025	A*	`conf`	ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design. ICLR Keir Adams, Kento Abeywardane, Jenna C. Fromer, Connor W. Coley
2025	J	`jnl`	The impact of conformer quality on learned representations of molecular conformer ensembles. CoRR Keir Adams, Connor W. Coley
2024	A*	`conf`	Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks. ICLR Yanqiao Zhu, Jeehyun Hwang, Keir Adams, Zhen Liu, Bozhao Nan, Brock Stenfors, Yuanqi Du, Jatin Chauhan, Olaf Wiest, Olexandr Isayev, Connor W. Coley, Yizhou Sun, Wei Wang
2024	J	`jnl`	ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design. CoRR Keir Adams, Kento Abeywardane, Jenna C. Fromer, Connor W. Coley
2023	J	`jnl`	Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems. CoRR Xuan Zhang, Limei Wang, Jacob Helwig, Youzhi Luo, Cong Fu, Yaochen Xie, Meng Liu, Yuchao Lin, Zhao Xu, Keqiang Yan, Keir Adams, Maurice Weiler, Xiner Li, Tianfan Fu, Yucheng Wang, Haiyang Yu, Yuqing Xie, Xiang Fu, Alex Strasser, Shenglong Xu, Yi Liu, Yuanqi Du, Alexandra Saxton, Hongyi Ling, Hannah Lawrence, Hannes Stärk, Shurui Gui, Carl Edwards, Nicholas Gao, Adriana Ladera, Tailin Wu, Elyssa F. Hofgard, Aria Mansouri Tehrani, Rui Wang, Ameya Daigavane, Montgomery Bohde, Jerry Kurtin, Qian Huang, Tuong Phung, Minkai Xu, Chaitanya K. Joshi, Simon V. Mathis, Kamyar Azizzadenesheli, Ada Fang, Alán Aspuru-Guzik, Erik J. Bekkers, Michael M. Bronstein, Marinka Zitnik, Anima Anandkumar, Stefano Ermon, Pietro Liò, Rose Yu, Stephan Günnemann, Jure Leskovec, Heng Ji, Jimeng Sun, Regina Barzilay, Tommi S. Jaakkola, Connor W. Coley, Xiaoning Qian, Xiaofeng Qian, Tess E. Smidt, Shuiwang Ji
2023	A*	`conf`	Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design. ICLR Keir Adams, Connor W. Coley
2023	J	`jnl`	Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks. CoRR Yanqiao Zhu, Jeehyun Hwang, Keir Adams, Zhen Liu, Bozhao Nan, Brock Stenfors, Yuanqi Du, Jatin Chauhan, Olaf Wiest, Olexandr Isayev, Connor W. Coley, Yizhou Sun, Wei Wang
2022	J	`jnl`	Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design. CoRR Keir Adams, Connor W. Coley
2022	A*	`conf`	Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations. ICLR Keir Adams, Lagnajit Pattanaik, Connor W. Coley
2021	J	`jnl`	Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations. CoRR Keir Adams, Lagnajit Pattanaik, Connor W. Coley