Diffusion-Driven Domain Adaptation for Generating 3D Molecules

Diffusion-Driven Domain Adaptation for Generating 3D Molecules

1 April 2024

Kay Chen Tan

Papers citing "Diffusion-Driven Domain Adaptation for Generating 3D Molecules"

8 / 8 papers shown

Title
Unified Generative Modeling of 3D Molecules via Bayesian Flow Networks Yuxuan Song Jingjing Gong Yanru Qu Hao Zhou Mingyue Zheng Jingjing Liu Wei-Ying Ma 18 5 0 17 Mar 2024
Geometric Latent Diffusion Models for 3D Molecule Generation Minkai Xu Alexander Powers R. Dror Stefano Ermon J. Leskovec DiffM AI4CE 45 131 0 02 May 2023
VarMAE: Pre-training of Variational Masked Autoencoder for Domain-adaptive Language Understanding Dou Hu Xiaolong Hou Xiyang Du Mengyuan Zhou Lian-Xin Jiang Yang Mo Xiaofeng Shi 25 12 0 01 Nov 2022
Equivariant Energy-Guided SDE for Inverse Molecular Design Fan Bao Min Zhao Zhongkai Hao Pei‐Yun Li Chongxuan Li Jun Zhu DiffM 162 62 0 30 Sep 2022
Masked Autoencoders Are Scalable Vision Learners Kaiming He Xinlei Chen Saining Xie Yanghao Li Piotr Dollár Ross B. Girshick ViT TPM 258 7,337 0 11 Nov 2021
Crystal Diffusion Variational Autoencoder for Periodic Material Generation Tian Xie Xiang Fu O. Ganea Regina Barzilay Tommi Jaakkola DiffM BDL 196 224 0 12 Oct 2021
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 208 1,329 0 12 Feb 2018
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 154 1,748 0 02 Mar 2017