publications

2026

1. bioRxiv

   

   Fast and Ultra-Capable Protein Design: Advancing the Frontier Through Atomistic SE (3)-Equivariance with Genie 3

   Yeqing Lin^*, Minji Lee^*, Aakarsh Vermani, Ellena Jiang, and 3 more authors

   bioRxiv, 2026

   DOI Code
2. JCIM

   

   Relating Model Performance to Embedding Distributions in Molecular Machine Learning

   Matthias Welsch, Ellena Jiang, Ioannis Papantonis, and Johannes Kirchmair

   Journal of Chemical Information and Modeling 66 (9), 5125-5134, 2026

   DOI Code
3. JCIM

   A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data

   Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum, Joshua T Horton, … Ellena Jiang, and 122 more authors

   Journal of Chemical Information and Modeling 66 (6), 3129-3149, 2026

   Published as part of Journal of Chemical Information and Modeling special issue “Open Science and Blind Data: The Antiviral Discovery Challenge”.

   DOI