Automated 3D Pre-Training for Molecular Property Prediction

13 June 2023

Papers citing "Automated 3D Pre-Training for Molecular Property Prediction"

7 / 7 papers shown

Title
FragNet: A Graph Neural Network for Molecular Property Prediction with Four Layers of Interpretability G. Panapitiya Peiyuan Gao C Mark Maupin Emily Saldanha AI4CE 11 1 0 16 Oct 2024
Spherical Channels for Modeling Atomic Interactions C. L. Zitnick Abhishek Das Adeesh Kolluru Janice Lan Muhammed Shuaibi Anuroop Sriram Zachary W. Ulissi Brandon M. Wood 69 48 0 29 Jun 2022
GRPE: Relative Positional Encoding for Graph Transformer Wonpyo Park Woonggi Chang Donggeon Lee Juntae Kim Seung-won Hwang 39 74 0 30 Jan 2022
Masked Autoencoders Are Scalable Vision Learners Kaiming He Xinlei Chen Saining Xie Yanghao Li Piotr Dollár Ross B. Girshick ViT TPM 255 7,337 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
The Open Catalyst 2020 (OC20) Dataset and Community Challenges L. Chanussot Abhishek Das Siddharth Goyal Thibaut Lavril Muhammed Shuaibi ... Brandon M. Wood Junwoong Yoon Devi Parikh C. L. Zitnick Zachary W. Ulissi 202 370 0 20 Oct 2020
Model-Agnostic Meta-Learning for Fast Adaptation of Deep Networks Chelsea Finn Pieter Abbeel Sergey Levine OOD 234 11,568 0 09 Mar 2017