Protein Connectivity in Chemotaxis Receptor Complexes. - Stephan Eismann; Robert G. Endres (PLoS Comput. Biol., 2015)

Shape optimization in laminar flow with a label-guided variational autoencoder. - Stephan Eismann; Stefan Bartzsch; Stefano Ermon (CoRR, 2017)

Bayesian optimization and attribute adjustment. - Stephan Eismann; Daniel Levy; Rui Shu; Stefan Bartzsch; Stefano Ermon (UAI, 2018)

Learning Neural PDE Solvers with Convergence Guarantees. - Jun-Ting Hsieh; Shengjia Zhao; Stephan Eismann; Lucia Mirabella; Stefano Ermon (ICLR (Poster), 2019)

Hierarchical, rotation-equivariant neural networks to predict the structure of protein complexes. - Stephan Eismann; Raphael J. L. Townshend; Nathaniel Thomas; Milind Jagota; Bowen Jing; Ron O. Dror (CoRR, 2020)

Geometric Prediction: Moving Beyond Scalars. - Raphael J. L. Townshend; Brent Townshend; Stephan Eismann; Ron O. Dror (CoRR, 2020)

Protein model quality assessment using rotation-equivariant, hierarchical neural networks. - Stephan Eismann; Patricia Suriana; Bowen Jing; Raphael J. L. Townshend; Ron O. Dror (CoRR, 2020)

ATOM3D: Tasks On Molecules in Three Dimensions. - Raphael J. L. Townshend; Martin Vögele; Patricia Suriana; Alexander Derry; Alexander S. Powers; Yianni Laloudakis; Sidhika Balachandar; Brandon M. Anderson; Stephan Eismann; Risi Kondor; Russ B. Altman; Ron O. Dror (CoRR, 2020)

Learning from Protein Structure with Geometric Vector Perceptrons. - Bowen Jing; Stephan Eismann; Patricia Suriana; Raphael John Lamarre Townshend; Ron O. Dror (ICLR, 2021)

ATOM3D: Tasks on Molecules in Three Dimensions. - Raphael J. L. Townshend; Martin Vögele; Patricia Suriana; Alexander Derry; Alexander S. Powers; Yianni Laloudakis; Sidhika Balachandar; Bowen Jing; Brandon M. Anderson; Stephan Eismann; Risi Kondor; Russ B. Altman; et al. (NeurIPS Datasets and Benchmarks, 2021)

Protein sequence-to-structure learning: Is this the end(-to-end revolution)? - Elodie Laine; Stephan Eismann; Arne Elofsson; Sergei Grudinin (CoRR, 2021)

Equivariant Graph Neural Networks for 3D Macromolecular Structure. - Bowen Jing; Stephan Eismann; Pratham N. Soni; Ron O. Dror (CoRR, 2021)