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yuyangw
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MolCLR
Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
MIT License
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Is there a bug in dataset_test.py?
#29
nibingwei123
opened
4 months ago
0
Cannot reproduce the results on serveral datasets shown in the paper.
#28
zhangtia16
opened
6 months ago
0
[BUG fix] Line 113 and line 127 are repetitive logic.
#27
luli-git
opened
8 months ago
0
How to get the representation file
#26
wuyic1
closed
10 months ago
0
fix: read all test smiles w/o missing
#25
sangyeon-hits
opened
10 months ago
0
Abstract Class Error Message
#24
AhmadHammad21
opened
1 year ago
6
Some questions about finetune
#23
Shimmer8001
opened
1 year ago
3
How to Get Chirality tag and BondDir for canonical smiles
#22
shrimonmuke0202
closed
1 year ago
1
Problems of Investment of MolCLR Representation part
#21
zqwz909
closed
1 year ago
8
regression task reproduce
#20
MrsW6
closed
1 year ago
1
multi GPU trainging problem
#19
MrsW6
closed
1 year ago
0
About QM9
#18
DuanhaoranCC
closed
1 year ago
1
Calculating the mean value for multi-target dataset in Table1 and Table2
#17
JongKook-Heo
closed
1 year ago
1
Discussion on the three issues of the "Molecular Contrastive Learning of Representations via Graph Neural Networks"
#16
liuyunwu
closed
1 year ago
4
Reproducing benchmark results on the SIDER dataset
#15
icycookies
closed
1 year ago
2
Random split for QM9
#14
yeondukim
closed
1 year ago
1
Scaffold Split MUV ROC-AUC of MUC Dataset
#13
JongKook-Heo
closed
1 year ago
1
l_pos and r_pos empty in nt_xent loss?
#12
nprasadmm
closed
2 years ago
1
Some issues about code in finetune.py?
#11
githubXin123
closed
2 years ago
1
questions about re-producing
#10
Jiaran
closed
2 years ago
3
Questions about experimental results of Strategies for pre-training graph neural networks
#9
zhenyuhe00
closed
2 years ago
1
Questions about Calculating ROC-AUC of MUV Dataset
#8
JongKook-Heo
closed
2 years ago
2
Questions about experimental results
#7
yeondukim
closed
2 years ago
2
Apex support
#6
peizhenbai
closed
2 years ago
2
Code for iMolCLR
#5
colormeblue1013
closed
2 years ago
3
Loss function
#4
PigUnderRoof
closed
2 years ago
1
What is the MAE of QM9? Which parameter in the following operation result is Mean Absolute Error?
#3
MianWang11111
closed
2 years ago
1
Benchmark splits
#2
MarieOestreich
closed
2 years ago
1
gin pretrained files cannot be loaded
#1
MarieOestreich
closed
2 years ago
2