Scalable Autoregressive 3D Molecule Generation

20 May 2025

Papers citing "Scalable Autoregressive 3D Molecule Generation"

5 / 5 papers shown

Title
El Agente: An Autonomous Agent for Quantum Chemistry Yunheng Zou Austin H. Cheng Abdulrahman Aldossary Jiaru Bai Shi Xuan Leong ... Ilya Yakavets Han Hao Chris Crebolder Varinia Bernales Alán Aspuru-Guzik 21 0 0 05 May 2025
All-atom Diffusion Transformers: Unified generative modelling of molecules and materials Chaitanya K. Joshi Xiang Fu Yi-Lun Liao Vahe Gharakhanyan Benjamin Kurt Miller Anuroop Sriram Zachary W. Ulissi DiffM 208 10 0 05 Mar 2025
Score-based 3D molecule generation with neural fields Matthieu Kirchmeyer Pedro H. O. Pinheiro Saeed Saremi DiffM 121 2 0 15 Jan 2025
Bio2Token: All-atom tokenization of any biomolecular structure with Mamba Andrew Liu Axel Elaldi Nathan Russell Olivia Viessmann Mamba 130 3 0 24 Oct 2024
Geometric Representation Condition Improves Equivariant Molecule Generation Zian Li Cai Zhou Xiyuan Wang Xingang Peng Muhan Zhang 104 2 0 04 Oct 2024