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zaixizhang
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MGSSL
Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
Apache License 2.0
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A motif that does not exist in the vocabulary：KeyError: 'C1=CNC=N1'
#17
Syforeal
closed
2 weeks ago
0
Kekulization failed for some atoms.
#16
zoey731
closed
4 months ago
0
Why could I get node representation only by GIN?
#15
simmzx
opened
7 months ago
1
Error in `python': free(): invalid next size (fast)
#14
coderabbittank
opened
8 months ago
1
About kekule
#13
wlgcqh
opened
8 months ago
1
RDKit ERROR: [07:38:26] Explicit valence for atom # 1 N, 6, is greater than permitted
#12
lizhixi212
opened
1 year ago
1
Run failure(KeyError: 'C1=CSC(C2=NNN=N2)=C1')
#11
yuzhou2333
closed
1 year ago
5
Pretrained Weights
#10
lvkd84
closed
1 year ago
1
About Motif-Decomposition
#9
JongKook-Heo
closed
1 year ago
1
Where is the atom loss and bond loss?
#8
windyLemon
closed
1 year ago
1
Are there some mistakes in tree decomposition modules?
#7
1004766790
closed
1 year ago
2
How can i get motifs for my own datasets?
#6
xxy90
closed
1 year ago
1
Are there any released pre-trained models like GROVER?
#5
Dinxin
closed
1 year ago
1
fingerprint
#4
rohanvarm
closed
1 year ago
1
Question about dataset
#3
qiuxuanbaby
closed
1 year ago
1
[error] rdkit.Chem.rdchem.KekulizeException: Can't kekulize mol.
#2
seyongk
closed
2 years ago
3
Questions about motifs
#1
toooooodo
closed
1 year ago
1