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deepchem
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moleculenet
Moleculenet.ai Datasets And Splits
MIT License
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How to get ACNN pre_trained model
#43
yqdzh
opened
9 months ago
1
Processing of QM7/QM9 Targets
#42
FelixKatz77
opened
2 years ago
4
Potential Processing Error in the Original QM8 Dataset on Some Tasks
#41
rbharath
opened
2 years ago
0
Moleculenet data splits
#40
ecvgit
opened
2 years ago
3
Create MolNet_Benchmark_Tutorial.ipynb
#39
ncfrey
closed
3 years ago
7
SIDER dataset: numbers of samples disagree
#38
LanceKnight
opened
3 years ago
1
Make a list of models to benchmark
#37
rbharath
opened
3 years ago
0
Add benchmarks for interaction fingerprints
#36
ncfrey
closed
3 years ago
2
Update the numbers for BBBP
#35
mufeili
closed
3 years ago
0
[WIP] ACNN Benchmark
#34
ncfrey
closed
3 years ago
5
Therapeutics Data Commons
#33
rbharath
opened
3 years ago
2
Discrepancy in BBBP Numbers?
#32
rbharath
closed
3 years ago
5
mp_metallicity dataloader issue
#31
yuanqidu
opened
3 years ago
0
perovskite data loader issue
#30
yuanqidu
opened
3 years ago
1
band gap dataset loading issue
#29
yuanqidu
opened
3 years ago
1
Lipo dataset added
#28
yuanqidu
closed
3 years ago
3
KAGGLE dataset loader
#27
yuanqidu
closed
3 years ago
2
SIDER dataset added
#26
yuanqidu
closed
3 years ago
5
About HPPB
#25
mufeili
opened
3 years ago
2
Two Submissions on HOPV
#24
mufeili
closed
3 years ago
0
Using RD-Filters on MoleculeNet datasets
#23
rbharath
opened
3 years ago
0
Two Submissions on Delaney
#22
mufeili
closed
3 years ago
2
Two Submissions on ClinTox
#21
mufeili
closed
3 years ago
1
Two Submissions on Clearance
#20
mufeili
opened
3 years ago
4
Two Submissions on BBBP
#19
mufeili
closed
3 years ago
1
Previous MoleculeNet Benchmark Score
#18
nissy-dev
opened
3 years ago
0
Two Submissions on BACE Regression
#17
mufeili
closed
3 years ago
1
GCN with MolGraphConv Featurization on BACE
#16
mufeili
closed
3 years ago
2
Non-canonical smiles confound string-based classifiers
#15
cyrusmaher
opened
3 years ago
10
Random Forest with 1024-bit ECFP2 on BACE
#14
mufeili
closed
3 years ago
5
Filtering False Positives from MoleculeNet datasets
#13
rbharath
opened
4 years ago
1
Improving Moleculenet's metrics
#12
rbharath
opened
4 years ago
0
Add Thorough Documentation on How to Contribute a Dataset to MoleculeNet
#11
rbharath
opened
4 years ago
2
GEOM dataset
#10
rbharath
opened
4 years ago
0
Creating Scripts to Run MoleculeNet Suite Automatically
#9
rbharath
opened
4 years ago
0
Include Preprocessing Information
#8
rbharath
opened
4 years ago
0
Remove support classes?
#7
rbharath
closed
4 years ago
1
Moleculenet module renaming
#6
rbharath
closed
4 years ago
2
Add CLA to this repo
#5
rbharath
closed
4 years ago
1
[WIP] Porting some code in from deepchem
#4
rbharath
closed
4 years ago
1
Hidden Test Set and Testing Server
#3
rbharath
opened
4 years ago
4
New MoleculeNet Datasets
#2
lilleswing
opened
4 years ago
4
What Can We Do Better?
#1
lilleswing
opened
4 years ago
2