| Torsional Diffusion for Molecular Conformer Generation B Jing, G Corso, R Barzilay, TS Jaakkola ICLR2022 Machine Learning for Drug Discovery, 2022 | | 2022 |
| Learning to Simulate Time-averaged Coarse-grained Molecular Dynamics with Geometric Machine Learning X Fu, T Xie, N Rebello, B Olsen, T Jaakkola Bulletin of the American Physical Society, 2022 | | 2022 |
| Adversarial Support Alignment S Tong, T Garipov, Y Zhang, S Chang, TS Jaakkola arXiv preprint arXiv:2203.08908, 2022 | 1 | 2022 |
| Simulate Time-integrated Coarse-grained Molecular Dynamics with Geometric Machine Learning X Fu, T Xie, NJ Rebello, B Olsen, TS Jaakkola ICLR Workshop on Deep Generative Models for Highly Structured Data, 2022 | | 2022 |
| Conformal Prediction Sets with Limited False Positives A Fisch, T Schuster, T Jaakkola, R Barzilay arXiv preprint arXiv:2202.07650, 2022 | | 2022 |
| Equibind: Geometric deep learning for drug binding structure prediction H Stärk, OE Ganea, L Pattanaik, R Barzilay, T Jaakkola arXiv preprint arXiv:2202.05146, 2022 | 5 | 2022 |
| Syfer: Neural Obfuscation for Private Data Release A Yala, V Quach, H Esfahanizadeh, RGL D'Oliveira, KR Duffy, M Médard, ... arXiv preprint arXiv:2201.12406, 2022 | | 2022 |
| Controlling Directions Orthogonal to a Classifier Y Xu, H He, T Shen, T Jaakkola arXiv preprint arXiv:2201.11259, 2022 | 1 | 2022 |
| Generative models for molecular discovery: Recent advances and challenges C Bilodeau, W Jin, T Jaakkola, R Barzilay, KF Jensen Wiley Interdisciplinary Reviews: Computational Molecular Science, e1608, 2022 | | 2022 |
| Generating molecules with optimized aqueous solubility using iterative graph translation C Bilodeau, W Jin, H Xu, JA Emerson, S Mukhopadhyay, TH Kalantar, ... Reaction Chemistry & Engineering, 2022 | | 2022 |
| Geomol: Torsional geometric generation of molecular 3d conformer ensembles O Ganea, L Pattanaik, C Coley, R Barzilay, K Jensen, W Green, ... Advances in Neural Information Processing Systems 34, 2021 | 18 | 2021 |
| Understanding Interlocking Dynamics of Cooperative Rationalization M Yu, Y Zhang, S Chang, T Jaakkola Advances in Neural Information Processing Systems 34, 2021 | 1 | 2021 |
| Independent SE (3)-Equivariant Models for End-to-End Rigid Protein Docking OE Ganea, X Huang, C Bunne, Y Bian, R Barzilay, T Jaakkola, A Krause arXiv preprint arXiv:2111.07786, 2021 | 5 | 2021 |
| Fragment-based Sequential Translation for Molecular Optimization B Chen, X Fu, R Barzilay, T Jaakkola arXiv preprint arXiv:2111.01009, 2021 | 1 | 2021 |
| Learning Representations that Support Robust Transfer of Predictors Y Xu, T Jaakkola arXiv preprint arXiv:2110.09940, 2021 | 4 | 2021 |
| Crystal Diffusion Variational Autoencoder for Periodic Material Generation T Xie, X Fu, OE Ganea, R Barzilay, T Jaakkola arXiv preprint arXiv:2110.06197, 2021 | 5 | 2021 |
| Iterative refinement graph neural network for antibody sequence-structure co-design W Jin, J Wohlwend, R Barzilay, T Jaakkola arXiv preprint arXiv:2110.04624, 2021 | 9 | 2021 |
| Trading Coverage for Precision: Conformal Prediction with Limited False Discoveries A Fisch, T Schuster, TS Jaakkola, R Barzilay | | 2021 |
| Text Style Transfer with Confounders T Shen, R Barzilay, TS Jaakkola | | 2021 |
| Deep learning identifies synergistic drug combinations for treating COVID-19 W Jin, JM Stokes, RT Eastman, Z Itkin, AV Zakharov, JJ Collins, ... Proceedings of the National Academy of Sciences 118 (39), 2021 | 20 | 2021 |
