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Issues list

featurizer RACS() returns arrays containing NaNs
#457 opened Sep 29, 2023 by mehradans92
2
Update README with paper!
#455 opened Aug 9, 2023 by Andrew-S-Rosen
Example on BU
#454 opened Jul 15, 2023 by LTJer
2
Check conda installation
#453 opened Jun 17, 2023 by kjappelbaum
3
How do I change probe radius for sa?
#451 opened Apr 18, 2023 by KP-303
2
FileNotFoundError: [Errno 2] No such file or directory: 'network'
#450 opened Apr 18, 2023 by KP-303
3
return indices for substructure in PHImage
#448 opened Apr 12, 2023 by kjappelbaum
1
@kjappelbaum
update citation to Central Sci article documentation Improvements or additions to documentation
#445 opened Mar 22, 2023 by kjappelbaum
Add open-metal-sites featurizer featurization
#438 opened Mar 10, 2023 by kjappelbaum
models to benchmark
#437 opened Feb 8, 2023 by kjappelbaum
2
Add 2D energy histogram
#436 opened Feb 6, 2023 by kjappelbaum
add xtb features
#435 opened Jan 30, 2023 by kjappelbaum
add heat capacity dataset dataset enhancement New feature or request
#434 opened Jan 10, 2023 by kjappelbaum
@kjappelbaum
implement a get_dataset_config_names enhancement New feature or request
#433 opened Jan 6, 2023 by kjappelbaum
note in docs that error handling paradigm is different from matminer documentation Improvements or additions to documentation
#432 opened Dec 30, 2022 by kjappelbaum
use featurizer name in feature name of all featurizers enhancement New feature or request good first issue Good for newcomers
#431 opened Dec 30, 2022 by kjappelbaum
4
add COF presets for featurizers that aggregate over atom types
#430 opened Dec 30, 2022 by kjappelbaum
in featurizer cards link to API docs documentation Improvements or additions to documentation good first issue Good for newcomers
#429 opened Dec 30, 2022 by kjappelbaum
extend CoRE dataset
#428 opened Dec 29, 2022 by kjappelbaum
consider using MOF in conftest devops enhancement New feature or request
#427 opened Dec 29, 2022 by kjappelbaum
add version pin on sklearn enhancement New feature or request
#426 opened Dec 29, 2022 by kjappelbaum
QMOF dataset has scaffold hash that is None bug/confirmed Bug, reproduced by others
#425 opened Dec 29, 2022 by kjappelbaum
seed changelog devops enhancement New feature or request
#424 opened Dec 24, 2022 by kjappelbaum
add GPT-3 models to leaderboard
#423 opened Dec 24, 2022 by kjappelbaum
[BRAINSTORM] refactor to use MOF objects as inputs enhancement New feature or request question Further information is requested
#421 opened Dec 21, 2022 by kjappelbaum
1
1
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