Get our free extension to see links to code for papers anywhere online!

Chrome logo  Add to Chrome

Firefox logo Add to Firefox

Multi-modal Molecule Structure-text Model for Text-based Retrieval and Editing


Dec 21, 2022
Shengchao Liu, Weili Nie, Chengpeng Wang, Jiarui Lu, Zhuoran Qiao, Ling Liu, Jian Tang, Chaowei Xiao, Anima Anandkumar

Add code


   Access Paper or Ask Questions

Dynamic-Backbone Protein-Ligand Structure Prediction with Multiscale Generative Diffusion Models


Sep 30, 2022
Zhuoran Qiao, Weili Nie, Arash Vahdat, Thomas F. Miller III, Anima Anandkumar

Add code


   Access Paper or Ask Questions

Retrieval-based Controllable Molecule Generation


Aug 23, 2022
Zichao Wang, Weili Nie, Zhuoran Qiao, Chaowei Xiao, Richard Baraniuk, Anima Anandkumar

Add code

* 32 pages 

   Access Paper or Ask Questions

UNiTE: Unitary N-body Tensor Equivariant Network with Applications to Quantum Chemistry


Jun 06, 2021
Zhuoran Qiao, Anders S. Christensen, Matthew Welborn, Frederick R. Manby, Anima Anandkumar, Thomas F. Miller III

Add code


   Access Paper or Ask Questions

Multi-task learning for electronic structure to predict and explore molecular potential energy surfaces


Nov 11, 2020
Zhuoran Qiao, Feizhi Ding, Matthew Welborn, Peter J. Bygrave, Daniel G. A. Smith, Animashree Anandkumar, Frederick R. Manby, Thomas F. Miller III

Add code

* Accepted for presentation at the Machine Learning for Molecules workshop at NeurIPS 2020 

   Access Paper or Ask Questions

OrbNet: Deep Learning for Quantum Chemistry Using Symmetry-Adapted Atomic-Orbital Features


Jul 15, 2020
Zhuoran Qiao, Matthew Welborn, Animashree Anandkumar, Frederick R. Manby, Thomas F. Miller III

Add code


   Access Paper or Ask Questions