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2012.11175
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Learn molecular representations from large-scale unlabeled molecules for drug discovery
21 December 2020
Pengyong Li
Jun Wang
Yixuan Qiao
Hao Chen
Yihuan Yu
Xiaojun Yao
Peng Gao
Guotong Xie
Sen Song
GNN
Re-assign community
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Papers citing
"Learn molecular representations from large-scale unlabeled molecules for drug discovery"
5 / 5 papers shown
Title
Fractional Denoising for 3D Molecular Pre-training
Shi Feng
Yuyan Ni
Yanyan Lan
Zhiming Ma
Wei-Ying Ma
DiffM
AI4CE
47
25
0
20 Jul 2023
Supervised Pretraining for Molecular Force Fields and Properties Prediction
Xiang Gao
Weihao Gao
Wen Xiao
Zhirui Wang
Chong Wang
Liang Xiang
AI4CE
20
8
0
23 Nov 2022
CandidateDrug4Cancer: An Open Molecular Graph Learning Benchmark on Drug Discovery for Cancer
Xianbin Ye
Ziliang Li
Fei Ma
Z. Yi
Pengyong Li
Jun Wang
Peng Gao
Yixuan Qiao
Guotong Xie
22
1
0
02 Mar 2022
Dual-view Molecule Pre-training
Jinhua Zhu
Yingce Xia
Tao Qin
Wen-gang Zhou
Houqiang Li
Tie-Yan Liu
AI4CE
27
51
0
17 Jun 2021
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
172
1,775
0
02 Mar 2017
1