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CrabNet cannot be installed on higher versions of Python
bug
Something isn't working
#78
opened Oct 17, 2024 by
tankylz
Docs code not working properly
bug
Something isn't working
#72
opened Oct 19, 2023 by
DavidSiretMarques
Torch probably needs to be less than 2.0
bug
Something isn't working
#70
opened Jun 7, 2023 by
sgbaird
Unit test for classification task
enhancement
New feature or request
#64
opened Feb 9, 2023 by
sgbaird
support scientific notation for chemical formulas
enhancement
New feature or request
#43
opened Aug 2, 2022 by
sgbaird
FileNotFoundError: [Errno 2] when calling crabnet.utils.figures.element_prevalence
bug
Something isn't working
#40
opened Jul 21, 2022 by
Pepe-Marquez
test_df
should be able to have only formula
column (no target)
bug
#39
opened Jul 7, 2022 by
sgbaird
Noticed an issue in the documentation.
bug
Something isn't working
#24
opened Apr 14, 2022 by
hasan-sayeed
Incorporate cross-validated SAASBO hyperparameter optimization into CrabNet
enhancement
New feature or request
#19
opened Mar 21, 2022 by
sgbaird
Incorporate CrabNet changes upstream
enhancement
New feature or request
#18
opened Mar 21, 2022 by
sgbaird
Need to double check that the MAE using defaults (except Something isn't working
epochs=40
) hasn't changed for matbench_expt_gap
bug
#13
opened Mar 9, 2022 by
sgbaird
Allow for not breaking flow of gradients, like what is implemented in CoCoCrab
#7
opened Feb 18, 2022 by
sgbaird
abstract away the chemistry-specific format and change to a formulation-type algorithm
enhancement
New feature or request
#6
opened Feb 18, 2022 by
sgbaird
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