Improving Molecular Pretraining with Complementary Featurizations

Improving Molecular Pretraining with Complementary Featurizations

29 September 2022

Dingshuo Chen

Qiang Liu

Papers citing "Improving Molecular Pretraining with Complementary Featurizations"

5 / 5 papers shown

Title
Masked Autoencoders Are Scalable Vision Learners Kaiming He Xinlei Chen Saining Xie Yanghao Li Piotr Dollár Ross B. Girshick ViT TPM 255 5,353 0 11 Nov 2021
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 106 294 0 07 Oct 2021
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials Simon L. Batzner Albert Musaelian Lixin Sun Mario Geiger J. Mailoa M. Kornbluth N. Molinari Tess E. Smidt Boris Kozinsky 183 860 0 08 Jan 2021
An Investigation of Why Overparameterization Exacerbates Spurious Correlations Shiori Sagawa Aditi Raghunathan Pang Wei Koh Percy Liang 128 368 0 09 May 2020
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 152 1,748 0 02 Mar 2017