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16 Open 7 Closed
16 Open 7 Closed
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Issues list

Reason to use pe_scaler and ple_scaler
#37 opened Sep 26, 2023 by grmaier
AttributeError: 'SWA' object has no attribute '_optimizer_step_pre_hooks'. Did you mean: '_optimizer_step_code'?
#36 opened May 12, 2023 by pbenner
Facing issue while importing model (from crabnet.model import Model)
#32 opened Oct 6, 2022 by Preyansh1112
1
Add skipatom featurizer to the repository
#29 opened Mar 26, 2022 by sgbaird
Parameter used for the results in the published work
#28 opened Mar 23, 2022 by GuptaVishu2002
Reproducing RooSt results, error using RooSt Colab example is higher than what's reported in CrabNet paper
#26 opened Mar 6, 2022 by sgbaird
CrabNet matbench data, possible mismatch between submission notebook and results
#23 opened Feb 5, 2022 by sgbaird
2
attention-heads as samples from posterior distribution in a Bayesian sense
#22 opened Feb 5, 2022 by sgbaird
pinned pytorch and cudatoolkit dependencies possibly defunct for GPU usage
#21 opened Feb 5, 2022 by sgbaird
1
the classification criterion doesn't factor in the uncertainty - does this mean ignore the uncertainty for classification?
#20 opened Jan 7, 2022 by sgbaird
CrabNet matbench results - possibly neglecting 25% of the training data it could have used
#19 opened Dec 31, 2021 by sgbaird
2
Seems like an "extend_features" option for CrabNet could be useful for several people
#17 opened Dec 3, 2021 by sgbaird
11
Does CrabNet use the validation data to improve the model?
#15 opened Sep 23, 2021 by sgbaird
4
fit() and predict() methods
#14 opened Sep 18, 2021 by sgbaird
CrabNet sometimes ignores/skips certain compounds. Why? How to keep track of compound IDs? question Further information is requested
#13 opened Sep 15, 2021 by sgbaird
4
pip or conda install enhancement New feature or request help wanted Extra attention is needed
#11 opened Sep 11, 2021 by sgbaird
6
ProTip! Find all open issues with in progress development work with linked:pr.