OrbNet: Deep Learning for Quantum Chemistry Using Symmetry-Adapted Atomic-Orbital Features. - Zhuoran Qiao; Matthew Welborn; Animashree Anandkumar; Frederick R. Manby; Thomas F. Miller III (CoRR, 2020)

Multi-task learning for electronic structure to predict and explore molecular potential energy surfaces. - Zhuoran Qiao; Feizhi Ding; Matthew Welborn; Peter J. Bygrave; Daniel G. A. Smith; Animashree Anandkumar; Frederick R. Manby; Thomas F. Miller III (CoRR, 2020)

UNiTE: Unitary N-body Tensor Equivariant Network with Applications to Quantum Chemistry. - Zhuoran Qiao; Anders S. Christensen; Frederick R. Manby; Matthew Welborn; Anima Anandkumar; Thomas F. Miller III (CoRR, 2021)

Comparison of Neural Network Models for Facial Recognition with Wearing Masks. - Dekang Cao; Zhuoran Qiao; Muhan Yang (CAIBDA, 2022)

Dynamic-Backbone Protein-Ligand Structure Prediction with Multiscale Generative Diffusion Models. - Zhuoran Qiao; Weili Nie; Arash Vahdat; Thomas F. Miller III; Anima Anandkumar (CoRR, 2022)

Retrieval-based Controllable Molecule Generation. - Zichao Wang 001; Weili Nie; Zhuoran Qiao; Chaowei Xiao; Richard G. Baraniuk; Anima Anandkumar (ICLR, 2023)

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol. - Abigail C. Dommer; Lorenzo Casalino; Fiona L. Kearns; Mia A. Rosenfeld; Nicholas Wauer; Surl-Hee Ahn; John Russo 003; A. Sofia F. Oliveira; Clare Morris; Anthony T. Bogetti; Anda Trifan; Alexander Brace; et al. (Int. J. High Perform. Comput. Appl., 2023)

NeuralPLexer evaluation datasets and predictions. - Zhuoran Qiao; Weili Nie; Arash Vahdat; Thomas F. Miller III; Animashree Anandkumar (Zenodo, 2023)

NeuralPLexer evaluation datasets and predictions. - Zhuoran Qiao; Weili Nie; Arash Vahdat; Thomas F. Miller III; Animashree Anandkumar (Zenodo, 2023)

Multi-modal molecule structure-text model for text-based retrieval and editing. - Shengchao Liu; Weili Nie; Chengpeng Wang; Jiarui Lu; Zhuoran Qiao; Ling Liu 001; Jian Tang 005; Chaowei Xiao; Animashree Anandkumar (Nat. Mac. Intell., 2023)

NeuralPLexer3: Accurate Biomolecular Complex Structure Prediction with Flow Models. - Zhuoran Qiao; Feizhi Ding; Thomas Dresselhaus; Mia A. Rosenfeld; Xiaotian Han; Owen Howell; Aniketh Iyengar; Stephen Opalenski; Anders S. Christensen; Sai K. Sirumalla; Frederick R. Manby; Thomas F. Miller III; et al. (CoRR, 2024)

State-specific protein-ligand complex structure prediction with a multiscale deep generative model. - Zhuoran Qiao; Weili Nie; Arash Vahdat; Thomas F. Miller III; Animashree Anandkumar (Nat. Mac. Intell., 2024)