2 citations · 6 across the 6 of their papers we have counts for
6 papers
MIRAI: Prediction and Generation of High-Impact Academic Research
Alex Li, Joseph Jacobson
The rapid pace of scientific publishing has made the identification and synthesis of high-impact work an increasingly urgent challenge. We introduce MIRAI (Multi-year Inference of…
Accelerating Protein Molecular Dynamics Simulation with DeepJump
Allan dos Santos Costa, Manvitha Ponnapati, Dana Rubin +2
Unraveling the dynamical motions of biomolecules is essential for bridging their structure and function, yet it remains a major computational challenge. Molecular dynamics (MD) sim…
RiboGen: RNA Sequence and Structure Co-Generation with Equivariant MultiFlow
Dana Rubin, Allan dos Santos Costa, Manvitha Ponnapati +1
Ribonucleic acid (RNA) plays fundamental roles in biological systems, from carrying genetic information to performing enzymatic function. Understanding and designing RNA can enable…
E3STO: Orbital Inspired SE(3)-Equivariant Molecular Representation for Electron Density Prediction
Ilan Mitnikov, Joseph Jacobson
Electron density prediction stands as a cornerstone challenge in molecular systems, pivotal for various applications such as understanding molecular interactions and conducting pre…
EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants
Allan dos Santos Costa, Ilan Mitnikov, Franco Pellegrini +7
Mapping the conformational dynamics of proteins is crucial for elucidating their functional mechanisms. While Molecular Dynamics (MD) simulation enables detailed time evolution of…
Ophiuchus: Scalable Modeling of Protein Structures through Hierarchical Coarse-graining SO(3)-Equivariant Autoencoders
Allan dos Santos Costa, Ilan Mitnikov, Mario Geiger +3
Three-dimensional native states of natural proteins display recurring and hierarchical patterns. Yet, traditional graph-based modeling of protein structures is often limited to ope…