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John Ingraham

3 accepted papers

2019

Generative Models for Graph-Based Protein Design

NeurIPS 2019poster

Engineered proteins offer the potential to solve many problems in biomedicine, energy, and materials science, but creating designs that succeed is difficult in practice. A significant aspect of this challenge is the complex coupling between protein sequence and 3D structure, with the task of finding…

2019

Learning Protein Structure with a Differentiable Simulator

ICLR 2019oral

The Boltzmann distribution is a natural model for many systems, from brains to materials and biomolecules, but is often of limited utility for fitting data because Monte Carlo algorithms are unable to simulate it in available time. This gap between the expressive capabilities and sampling practicali…

Cited by 174SourcePDFScholar