AugLiChem: Data Augmentation Library of Chemical Structures for Machine Learning

30 November 2021

Papers citing "AugLiChem: Data Augmentation Library of Chemical Structures for Machine Learning"

7 / 7 papers shown

Title
Efficient Training of Transformers for Molecule Property Prediction on Small-scale Datasets Shivesh Prakash 25 0 0 07 Sep 2024
Materials Informatics Transformer: A Language Model for Interpretable Materials Properties Prediction Hongshuo Huang Rishikesh Magar Chang Xu A. Farimani AI4CE 17 4 0 30 Aug 2023
Graph Contrastive Learning for Materials Teddy Koker Keegan Quigley Will Spaeth Nathan C. Frey Lin Li 8 5 0 24 Nov 2022
Crystal Twins: Self-supervised Learning for Crystalline Material Property Prediction Rishikesh Magar Yuyang Wang Amir Barati Farimani 13 40 0 04 May 2022
Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast Yuyang Wang Rishikesh Magar Chen Liang A. Farimani 32 78 0 18 Feb 2022
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 181 878 0 07 Jun 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 152 1,748 0 02 Mar 2017