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23 Open 56 Closed
23 Open 56 Closed
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Issues list

tests failing
#121 opened Feb 12, 2024 by kjappelbaum
add reference for lead-likeness filter
#119 opened Feb 11, 2024 by kjappelbaum
Inconsistent preset API
#118 opened Feb 11, 2024 by kjappelbaum
1
add tutorials and sphinx documentation priority
#111 opened Jan 23, 2024 by kjappelbaum
1
@Arkhymadhe
SVG featurizer tests fail bug Something isn't working priority
#110 opened Jan 15, 2024 by kjappelbaum
cache expensive calls enhancement New feature or request
#109 opened Jan 11, 2024 by kjappelbaum
make morfeus import optional priority
#107 opened Jan 11, 2024 by kjappelbaum
1
replace prints with logger calls enhancement New feature or request
#106 opened Jan 11, 2024 by kjappelbaum
2
zerodivision error in bondtypefeaturizer priority
#105 opened Dec 1, 2023 by kjappelbaum
4
ensure that feature labels are unique tests
#98 opened Nov 1, 2023 by kjappelbaum
@Arkhymadhe
6
check if the conformers we get make sense priority
#97 opened Oct 30, 2023 by kjappelbaum
2
Bugs spotted when going through export bug Something isn't working priority
#95 opened Oct 24, 2023 by kjappelbaum
4
set up README and Docs to give clear credit to Benedict priority
#92 opened Oct 15, 2023 by kjappelbaum
@Arkhymadhe
1
make sure coverage is > 90% tests
#91 opened Oct 14, 2023 by kjappelbaum Make ready for paper
@Arkhymadhe
from featurizers, export information for meta.yaml priority
#89 opened Oct 13, 2023 by kjappelbaum
prepare JOSS manuscript
#88 opened Oct 13, 2023 by kjappelbaum Make ready for paper
1
fit methods must correctly be propagated to MultipleFeaturizer priority
#78 opened Sep 12, 2023 by kjappelbaum
3
[enhancement]: add due credit decorators enhancement New feature or request
#58 opened Aug 10, 2023 by kjappelbaum Make ready for paper
[Enhancement] WL iteration until convergence enhancement New feature or request
#56 opened Aug 10, 2023 by kjappelbaum
[new featurizer]: Distance between atoms/functional groups new-featurizer
#49 opened Aug 9, 2023 by kjappelbaum
1
translation between representation new-featurizer
#27 opened Jul 23, 2023 by kjappelbaum
@Arkhymadhe
8
molecule to ascii image enhancement New feature or request new-featurizer
#26 opened Jul 23, 2023 by kjappelbaum
@Arkhymadhe
4
SMILES validity featurizer new-featurizer
#19 opened Jun 8, 2023 by kjappelbaum
@Arkhymadhe
2
ProTip! Exclude everything labeled bug with -label:bug.