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Provider: Schloss Dagstuhl - Leibniz Center for Informatics Database: dblp computer science bibliography Content:text/plain; charset="utf-8" TY - CPAPER ID - DBLP:conf/chase/GuptaR24 AU - Gupta, Danika AU - Ramsundar, Bharath TI - Poster: Ensemble Methods for ADR Prediction. BT - IEEE/ACM Conference on Connected Health: Applications, Systems and Engineering Technologies, CHASE 2024, Wilmington, DE, USA, June 19-21, 2024 SP - 210 EP - 211 PY - 2024// DO - 10.1109/CHASE60773.2024.00043 UR - https://doi.org/10.1109/CHASE60773.2024.00043 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2401-10287 AU - Pranesh, Shai AU - Zhu, Shang AU - Viswanathan, Venkat AU - Ramsundar, Bharath TI - Open-Source Fermionic Neural Networks with Ionic Charge Initialization. JO - CoRR VL - abs/2401.10287 PY - 2024// DO - 10.48550/ARXIV.2401.10287 UR - https://doi.org/10.48550/arXiv.2401.10287 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2407-06209 AU - Madhavan, Varun AU - Sebastian, Amal S. AU - Ramsundar, Bharath AU - Viswanathan, Venkatasubramanian TI - Self-supervised Pretraining for Partial Differential Equations. JO - CoRR VL - abs/2407.06209 PY - 2024// DO - 10.48550/ARXIV.2407.06209 UR - https://doi.org/10.48550/arXiv.2407.06209 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2408-06261 AU - Shreyas, V. AU - Siguenza, Jose AU - Bania, Karan AU - Ramsundar, Bharath TI - Open-Source Molecular Processing Pipeline for Generating Molecules. JO - CoRR VL - abs/2408.06261 PY - 2024// DO - 10.48550/ARXIV.2408.06261 UR - https://doi.org/10.48550/arXiv.2408.06261 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2409-08163 AU - Menezes, Aaron Rock AU - Ramsundar, Bharath TI - Open Source Infrastructure for Automatic Cell Segmentation. JO - CoRR VL - abs/2409.08163 PY - 2024// DO - 10.48550/ARXIV.2409.08163 UR - https://doi.org/10.48550/arXiv.2409.08163 ER - TY - JOUR ID - DBLP:journals/nature/WangFD0HLCLKDAB23 AU - Wang, Hanchen AU - Fu, Tianfan AU - Du, Yuanqi AU - Gao, Wenhao AU - Huang, Kexin AU - Liu, Ziming AU - Chandak, Payal AU - Liu, Shengchao AU - Katwyk, Peter Van AU - Deac, Andreea AU - Anandkumar, Anima AU - Bergen, Karianne AU - Gomes, Carla P. AU - Ho, Shirley AU - Kohli, Pushmeet AU - Lasenby, Joan AU - Leskovec, Jure AU - Liu, Tie-Yan AU - Manrai, Arjun AU - Marks, Debora S. AU - Ramsundar, Bharath AU - Song, Le AU - Sun, Jimeng AU - Tang, Jian AU - Velickovic, Petar AU - Welling, Max AU - Zhang, Linfeng AU - Coley, Connor W. AU - Bengio, Yoshua AU - Zitnik, Marinka TI - Scientific discovery in the age of artificial intelligence. JO - Nat. VL - 620 IS - 7972 SP - 47 EP - 60 PY - 2023// DO - 10.1038/S41586-023-06221-2 UR - https://doi.org/10.1038/s41586-023-06221-2 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2309-15985 AU - Vidhyadhiraja, Advika AU - Thiagarajan, Arun Pa AU - Zhu, Shang AU - Viswanathan, Venkat AU - Ramsundar, Bharath TI - Open Source Infrastructure for Differentiable Density Functional Theory. JO - CoRR VL - abs/2309.15985 PY - 2023// DO - 10.48550/ARXIV.2309.15985 UR - https://doi.org/10.48550/arXiv.2309.15985 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2310-03047 AU - Zhu, Shang AU - Ramsundar, Bharath AU - Annevelink, Emil AU - Lin, Hongyi AU - Dave, Adarsh AU - Guan, Pin-Wen AU - Gering, Kevin AU - Viswanathan, Venkatasubramanian TI - Differentiable Chemical Physics by Geometric Deep Learning for Gradient-based Property Optimization of Mixtures. JO - CoRR VL - abs/2310.03047 PY - 2023// DO - 10.48550/ARXIV.2310.03047 UR - https://doi.org/10.48550/arXiv.2310.03047 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2201-12419 AU - Frey, Nathan C. AU - Gadepally, Vijay AU - Ramsundar, Bharath TI - FastFlows: Flow-Based Models for Molecular Graph Generation. JO - CoRR VL - abs/2201.12419 PY - 2022// UR - https://arxiv.org/abs/2201.12419 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2203-04698 AU - Gnaneshwar, Dwaraknath AU - Ramsundar, Bharath AU - Gandhi, Dhairya AU - Kurchin, Rachel C. AU - Viswanathan, Venkatasubramanian TI - Score-Based Generative Models for Molecule Generation. JO - CoRR VL - abs/2203.04698 PY - 2022// DO - 10.48550/ARXIV.2203.04698 UR - https://doi.org/10.48550/arXiv.2203.04698 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2209-01712 AU - Ahmad, Walid AU - Simon, Elana AU - Chithrananda, Seyone AU - Grand, Gabriel AU - Ramsundar, Bharath TI - ChemBERTa-2: Towards Chemical Foundation Models. JO - CoRR VL - abs/2209.01712 PY - 2022// DO - 10.48550/ARXIV.2209.01712 UR - https://doi.org/10.48550/arXiv.2209.01712 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2109-07573 AU - Ramsundar, Bharath AU - Krishnamurthy, Dilip AU - Viswanathan, Venkatasubramanian TI - Differentiable Physics: A Position Piece. JO - CoRR VL - abs/2109.07573 PY - 2021// UR - https://arxiv.org/abs/2109.07573 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2112-04977 AU - Frey, Nathan C. AU - Samsi, Siddharth AU - Ramsundar, Bharath AU - Coley, Connor W. AU - Gadepally, Vijay TI - Bringing Atomistic Deep Learning to Prime Time. JO - CoRR VL - abs/2112.04977 PY - 2021// UR - https://arxiv.org/abs/2112.04977 ER - TY - JOUR ID - DBLP:journals/jcisd/MinnichMTDWMMRR20 AU - Minnich, Amanda J. AU - McLoughlin, Kevin AU - Tse, Margaret AU - Deng, Jason AU - Weber, Andrew AU - Murad, Neha AU - Madej, Benjamin D. AU - Ramsundar, Bharath AU - Rush, Tom AU - Calad-Thomson, Stacie AU - Brase, Jim AU - Allen, Jonathan E. TI - AMPL: A Data-Driven Modeling Pipeline for Drug Discovery. JO - J. Chem. Inf. Model. VL - 60 IS - 4 SP - 1955 EP - 1968 PY - 2020// DO - 10.1021/ACS.JCIM.9B01053 UR - https://doi.org/10.1021/acs.jcim.9b01053 UR - https://www.wikidata.org/entity/Q91531078 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2010-09885 AU - Chithrananda, Seyone AU - Grand, Gabriel AU - Ramsundar, Bharath TI - ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Prediction. JO - CoRR VL - abs/2010.09885 PY - 2020// UR - https://arxiv.org/abs/2010.09885 ER - TY - JOUR ID - DBLP:journals/usenix-login/TalagalaRS19 AU - Talagala, Nisha AU - Ramsundar, Bharath AU - Sundararaman, Swaminathan TI - From Data Science to Production ML: Introducing USENIX OpML. JO - login Usenix Mag. VL - 44 IS - 1 PY - 2019// UR - https://www.usenix.org/publications/login/spring2019/talagala ER - TY - CONF ID - DBLP:conf/opml/2019 ED - Ramsundar, Bharath ED - Talagala, Nisha TI - 2019 USENIX Conference on Operational Machine Learning, OpML 2019, Santa Clara, CA, USA, May 20, 2019. PY - 2019// PB - USENIX Association UR - https://www.usenix.org/conference/opml19 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-1907-01489 AU - Bayatbabolghani, Fattaneh AU - Ramsundar, Bharath TI - Secure Computation in Decentralized Data Markets. JO - CoRR VL - abs/1907.01489 PY - 2019// UR - http://arxiv.org/abs/1907.01489 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-1911-05211 AU - Minnich, Amanda J. AU - McLoughlin, Kevin AU - Tse, Margaret AU - Deng, Jason AU - Weber, Andrew AU - Murad, Neha AU - Madej, Benjamin D. AU - Ramsundar, Bharath AU - Rush, Tom AU - Calad-Thomson, Stacie AU - Brase, Jim AU - Allen, Jonathan E. TI - AMPL: A Data-Driven Modeling Pipeline for Drug Discovery. JO - CoRR VL - abs/1911.05211 PY - 2019// UR - http://arxiv.org/abs/1911.05211 ER - TY - THES ID - DBLP:phd/us/Ramsundar18 AU - Ramsundar, Bharath TI - Molecular machine learning with DeepChem. PY - 2018// UR - https://searchworks.stanford.edu/view/12365376 ER - TY - JOUR ID - DBLP:journals/ploscb/EastmanSRP18 AU - Eastman, Peter K. AU - Shi, Jade AU - Ramsundar, Bharath AU - Pande, Vijay S. TI - Solving the RNA design problem with reinforcement learning. JO - PLoS Comput. Biol. VL - 14 IS - 6 PY - 2018// DO - 10.1371/JOURNAL.PCBI.1006176 UR - https://doi.org/10.1371/journal.pcbi.1006176 UR - https://www.wikidata.org/entity/Q55209147 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-1803-04465 AU - Feinberg, Evan N. AU - Sur, Debnil AU - Husic, Brooke E. AU - Mai, Doris AU - Li, Yang AU - Yang, Jianyi AU - Ramsundar, Bharath AU - Pande, Vijay S. TI - Spatial Graph Convolutions for Drug Discovery. JO - CoRR VL - abs/1803.04465 PY - 2018// UR - http://arxiv.org/abs/1803.04465 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-1806-00139 AU - Ramsundar, Bharath AU - Chen, Roger AU - Vasudev, Alok AU - Robbins, Rob AU - Gorokh, Artur TI - Tokenized Data Markets. JO - CoRR VL - abs/1806.00139 PY - 2018// UR - http://arxiv.org/abs/1806.00139 ER - TY - JOUR ID - DBLP:journals/jcisd/RamsundarLWVTSP17 AU - Ramsundar, Bharath AU - Liu, Bowen AU - Wu, Zhenqin AU - Verras, Andreas AU - Tudor, Matthew AU - Sheridan, Robert P. AU - Pande, Vijay S. TI - Is Multitask Deep Learning Practical for Pharma? JO - J. Chem. Inf. Model. VL - 57 IS - 8 SP - 2068 EP - 2076 PY - 2017/08/ DO - 10.1021/ACS.JCIM.7B00146 UR - https://doi.org/10.1021/acs.jcim.7b00146 UR - https://www.wikidata.org/entity/Q38429996 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/WuRFGGPLP17 AU - Wu, Zhenqin AU - Ramsundar, Bharath AU - Feinberg, Evan N. AU - Gomes, Joseph AU - Geniesse, Caleb AU - Pappu, Aneesh S. AU - Leswing, Karl AU - Pande, Vijay S. TI - MoleculeNet: A Benchmark for Molecular Machine Learning. JO - CoRR VL - abs/1703.00564 PY - 2017// UR - http://arxiv.org/abs/1703.00564 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/GomesRFP17 AU - Gomes, Joseph AU - Ramsundar, Bharath AU - Feinberg, Evan N. AU - Pande, Vijay S. TI - Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity. JO - CoRR VL - abs/1703.10603 PY - 2017// UR - http://arxiv.org/abs/1703.10603 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/LiuRKSGNHSWP17 AU - Liu, Bowen AU - Ramsundar, Bharath AU - Kawthekar, Prasad AU - Shi, Jade AU - Gomes, Joseph AU - Nguyen, Quang Luu AU - Ho, Stephen AU - Sloane, Jack AU - Wender, Paul AU - Pande, Vijay S. TI - Retrosynthetic reaction prediction using neural sequence-to-sequence models. JO - CoRR VL - abs/1706.01643 PY - 2017// UR - http://arxiv.org/abs/1706.01643 ER - TY - JOUR ID - DBLP:journals/jcisd/SubramanianRPD16 AU - Subramanian, Govindan AU - Ramsundar, Bharath AU - Pande, Vijay S. AU - Denny, Rajiah Aldrin TI - Computational Modeling of β-Secretase 1 (BACE-1) Inhibitors Using Ligand Based Approaches. JO - J. Chem. Inf. Model. VL - 56 IS - 10 SP - 1936 EP - 1949 PY - 2016// DO - 10.1021/ACS.JCIM.6B00290 UR - https://doi.org/10.1021/acs.jcim.6b00290 UR - https://www.wikidata.org/entity/Q36149658 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/RamsundarP16 AU - Ramsundar, Bharath AU - Pande, Vijay S. TI - Learning Protein Dynamics with Metastable Switching Systems. JO - CoRR VL - abs/1610.01642 PY - 2016// UR - http://arxiv.org/abs/1610.01642 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/Altae-TranRPP16 AU - Altae-Tran, Han AU - Ramsundar, Bharath AU - Pappu, Aneesh S. AU - Pande, Vijay S. TI - Low Data Drug Discovery with One-shot Learning. JO - CoRR VL - abs/1611.03199 PY - 2016// UR - http://arxiv.org/abs/1611.03199 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/RamsundarKRWKP15 AU - Ramsundar, Bharath AU - Kearnes, Steven AU - Riley, Patrick AU - Webster, Dale AU - Konerding, David E. AU - Pande, Vijay S. TI - Massively Multitask Networks for Drug Discovery. JO - CoRR VL - abs/1502.02072 PY - 2015// UR - http://arxiv.org/abs/1502.02072 ER - TY - CPAPER ID - DBLP:conf/hotstorage/MarmolSTRDRG14 AU - Mármol, Leonardo AU - Sundararaman, Swaminathan AU - Talagala, Nisha AU - Rangaswami, Raju AU - Devendrappa, Sushma AU - Ramsundar, Bharath AU - Ganesan, Sriram TI - NVMKV: A Scalable and Lightweight Flash Aware Key-Value Store. BT - 6th USENIX Workshop on Hot Topics in Storage and File Systems, HotStorage '14, Philadelphia, PA, USA, June 17-18, 2014. PY - 2014// UR - https://www.usenix.org/conference/hotstorage14/workshop-program/presentation/marmol ER - TY - CPAPER ID - DBLP:conf/icml/McGibbonRSKP14 AU - McGibbon, Robert AU - Ramsundar, Bharath AU - Sultan, Mohammad AU - Kiss, Gert AU - Pande, Vijay S. TI - Understanding Protein Dynamics with L1-Regularized Reversible Hidden Markov Models. BT - Proceedings of the 31th International Conference on Machine Learning, ICML 2014, Beijing, China, 21-26 June 2014 SP - 1197 EP - 1205 PY - 2014// UR - http://proceedings.mlr.press/v32/mcgibbon14.html ER - TY - CPAPER ID - DBLP:conf/aistats/LiRR13 AU - Li, Lei AU - Ramsundar, Bharath AU - Russell, Stuart TI - Dynamic Scaled Sampling for Deterministic Constraints. BT - Proceedings of the Sixteenth International Conference on Artificial Intelligence and Statistics, AISTATS 2013, Scottsdale, AZ, USA, April 29 - May 1, 2013 SP - 397 EP - 405 PY - 2013// UR - http://proceedings.mlr.press/v31/li13a.html ER - TY - CPAPER ID - DBLP:conf/icml/ErolLRR13 AU - Erol, Yusuf AU - Li, Lei AU - Ramsundar, Bharath AU - Russell, Stuart TI - The Extended Parameter Filter. BT - Proceedings of the 30th International Conference on Machine Learning, ICML 2013, Atlanta, GA, USA, 16-21 June 2013 SP - 1103 EP - 1111 PY - 2013// UR - http://proceedings.mlr.press/v28/bugraerol13.html ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-1305-1704 AU - Erol, Yusuf AU - Li, Lei AU - Ramsundar, Bharath AU - Russell, Stuart TI - The Extended Parameter Filter JO - CoRR VL - abs/1305.1704 PY - 2013// UR - http://arxiv.org/abs/1305.1704 ER -