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Ramprasad-Group
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polygnn
polyGNN is a Python library to automate ML model training for polymer informatics.
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ModuleNotFoundError: No module named 'distutils.cmd'
#25
williamschertzer
opened
1 month ago
1
Direct access to fingerprints
#24
rishigurnani
opened
1 month ago
0
About Dataset
#23
littlepeachs
closed
2 months ago
3
Running with CUDA 12.3
#22
kietbphan
opened
4 months ago
1
whole data access
#21
shijiale0609
closed
4 months ago
4
Add weights of models trained in the polyGNN companion paper
#20
rishigurnani
closed
6 months ago
0
smiles_featurizer;'ValueError: Invalid repeat unit. Periodic bond types are mismatching.'
#19
kietbphan
closed
8 months ago
2
Issue with installation
#18
madhubantimukherjee
closed
10 months ago
7
Bump pygments from 2.13.0 to 2.15.0
#17
dependabot[bot]
closed
11 months ago
0
Memory Allocation Error
#16
oliverhvidsten
closed
11 months ago
3
Add example_predict.py file.
#15
rishigurnani
closed
1 year ago
1
Use graph_feats in the forward pass.
#14
rishigurnani
closed
1 year ago
9
Poor Prediction Results
#13
oliverhvidsten
closed
1 year ago
4
Smiles Key Error
#12
oliverhvidsten
closed
12 months ago
9
Update citation details
#11
rishigurnani
closed
1 year ago
0
Create a `example_predict.py` file
#10
rishigurnani
closed
1 year ago
0
Update wheel version
#9
rishigurnani
closed
1 year ago
0
Debugging Matrix Multiplication Error
#8
oliverhvidsten
closed
1 year ago
2
ValueError: Found input variables with inconsistent numbers of samples: [293, 874]; trying to tune HP on subset of data
#7
kietbphan
closed
1 year ago
2
some questions about the dataset
#6
Don12138
closed
1 year ago
4
After successful installation, running polygnn shows error with torch
#5
madhubantimukherjee
closed
1 year ago
9
Model seemingly not converging
#4
jnistane3
closed
1 year ago
2
matrix multiplication errors while training
#3
jnistane3
closed
1 year ago
2
Bump pillow from 9.2.0 to 9.3.0
#2
dependabot[bot]
closed
1 year ago
0
Update .lock and .toml file with explicit pandas dependency.
#1
rishigurnani
closed
1 year ago
0