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21 Open 28 Closed
21 Open 28 Closed
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Issues list

Support Chemprop Multitask models status: backlog Things we will work on, but not right now type: enhancement New feature or request
#107 opened Nov 15, 2024 by c-w-feldmann
@c-w-feldmann
Extend to Chemprop 2.0.5 type: maintenance Improvement of code or keeping the code up to date
#100 opened Oct 17, 2024 by c-w-feldmann
1
@c-w-feldmann
Get ML features via request/API call type: enhancement New feature or request
#99 opened Oct 16, 2024 by JochenSiegWork
@JochenSiegWork
Pretrained Chemprop status: backlog Things we will work on, but not right now type: enhancement New feature or request
#98 opened Oct 11, 2024 by c-w-feldmann
3 tasks
@c-w-feldmann
add set/get_params to AutoToMol status: backlog Things we will work on, but not right now type: bug Something isn't working
#89 opened Sep 13, 2024 by JochenSiegWork v1.0.0
Unittests: Chemprop - Combine Params to check status: backlog Things we will work on, but not right now type: maintenance Improvement of code or keeping the code up to date
#80 opened Sep 4, 2024 by c-w-feldmann
2 tasks
v1.0.0
Refactoring: move models defined in test_chemprop_pipeline.py to default_models.py status: backlog Things we will work on, but not right now type: maintenance Improvement of code or keeping the code up to date
#79 opened Sep 3, 2024 by c-w-feldmann v1.0.0
Remove name attribute from pipeline elements
#77 opened Aug 30, 2024 by JochenSiegWork v1.0.0
Add Shields to Readme status: backlog Things we will work on, but not right now type: enhancement New feature or request
#76 opened Aug 29, 2024 by c-w-feldmann v1.0.0
Rename ChempropClassifier to ChempropBinaryClassifier status: backlog Things we will work on, but not right now type: maintenance Improvement of code or keeping the code up to date
#75 opened Aug 28, 2024 by c-w-feldmann
2 tasks
v1.0.0
Auto generate HTML docu type: enhancement New feature or request
#62 opened Aug 15, 2024 by JochenSiegWork v1.0.0
@JochenSiegWork
1
test python 3.13 status: waiting The issue cannot be processed, due to external factors. type: maintenance Improvement of code or keeping the code up to date
#58 opened Aug 7, 2024 by c-w-feldmann
1
@c-w-feldmann
2
Use SparseBitVect to construct csr_matrix status: backlog Things we will work on, but not right now type: enhancement New feature or request
#54 opened Jul 17, 2024 by c-w-feldmann
The option 'deep' in the method get_params triggers a different behaviour than sklearns implementation. status: backlog Things we will work on, but not right now type: maintenance Improvement of code or keeping the code up to date
#28 opened Jun 18, 2024 by c-w-feldmann v1.0.0
RAM issue in MolToDescriptorPipelineElement when standardizer not None status: backlog Things we will work on, but not right now type: enhancement New feature or request
#23 opened Jun 14, 2024 by JochenSiegWork
More input validation for Pipeline.fit_transform etc. status: backlog Things we will work on, but not right now type: maintenance Improvement of code or keeping the code up to date
#22 opened Jun 14, 2024 by JochenSiegWork
Uncertainty status: backlog Things we will work on, but not right now type: enhancement New feature or request
#21 opened Jun 14, 2024 by c-w-feldmann
Add stacked Piplines status: backlog Things we will work on, but not right now type: enhancement New feature or request
#19 opened Jun 13, 2024 by c-w-feldmann
Allow for multiple input columns status: backlog Things we will work on, but not right now type: enhancement New feature or request
#18 opened Jun 13, 2024 by c-w-feldmann
1 task
v1.0.0
Support for Descriptors from models status: backlog Things we will work on, but not right now type: enhancement New feature or request
#17 opened Jun 13, 2024 by c-w-feldmann
Refactor _fit of Pipeline status: backlog Things we will work on, but not right now type: maintenance Improvement of code or keeping the code up to date
#16 opened Jun 13, 2024 by c-w-feldmann v1.0.0
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