Issues
- 12
Seems like an "extend_features" option for CrabNet could be useful for several people
#17 opened by sgbaird - 0
Reason to use pe_scaler and ple_scaler
#37 opened by grmaier - 0
AttributeError: 'SWA' object has no attribute '_optimizer_step_pre_hooks'. Did you mean: '_optimizer_step_code'?
#36 opened by pbenner - 1
The order of the two hyperlinks on the "Publications / How to cite" module in the readme file seems to be reversed
#34 opened by Rainsmumu - 1
- 2
CrabNet matbench data, possible mismatch between submission notebook and results
#23 opened by sgbaird - 0
Add skipatom featurizer to the repository
#29 opened by sgbaird - 0
- 0
Reproducing RooSt results, error using RooSt Colab example is higher than what's reported in CrabNet paper
#26 opened by sgbaird - 2
CrabNet matbench results - possibly neglecting 25% of the training data it could have used
#19 opened by sgbaird - 4
- 1
- 0
- 6
pip or conda install
#11 opened by sgbaird - 0
the classification criterion doesn't factor in the uncertainty - does this mean ignore the uncertainty for classification?
#20 opened by sgbaird - 5
Multiclass classification
#10 opened by hasan-sayeed - 4
CrabNet sometimes ignores/skips certain compounds. Why? How to keep track of compound IDs?
#13 opened by sgbaird - 0
fit() and predict() methods
#14 opened by sgbaird - 1
- 2
Do any of the CSV files in data/element_properties/ need citations? (e.g. in a README in the element_properties folder)
#9 opened by sgbaird - 7
about the predictor
#6 opened by yangyizu - 3
What is KingCrab?
#3 opened by sgbaird - 1
saved models are not displayed well.
#1 opened by Kaaiian