Ecosyste.ms: Issues

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GitHub / JustinYKC/FEPOPS issues and pull requests

#25 - 24 change default number of tautomers to be enumerated

Pull Request - State: closed - Opened by JustinYKC 9 months ago - 1 comment

#24 - Change default number of tautomers to be enumerated

Issue - State: closed - Opened by JustinYKC 10 months ago

#23 - Error when running "Explore_DUDE_diversity_set.ipynb"

Issue - State: closed - Opened by hannahbaumann over 1 year ago - 5 comments

#22 - [ Software paper ] minor suggestions

Issue - State: closed - Opened by hannahbaumann over 1 year ago - 2 comments

#21 - [ Installation ] pip installs per default v.1.6.0, issue installing v.1.8.0

Issue - State: closed - Opened by hannahbaumann over 1 year ago - 3 comments

#20 - [Reproducibility] 6 of the 8 targets are skipped in benchmark notebook

Issue - State: closed - Opened by exs-cbouy over 1 year ago - 1 comment

#19 - Merge of development to master

Pull Request - State: closed - Opened by JustinYKC over 1 year ago

#18 - [Optional] Small fixes and enhancements

Issue - State: closed - Opened by exs-cbouy over 1 year ago - 3 comments

#17 - [Installation] Dependencies not installed from pip

Issue - State: closed - Opened by exs-cbouy over 1 year ago - 1 comment

#16 - [Software paper] Lacking mention of how features are computed

Issue - State: closed - Opened by exs-cbouy over 1 year ago - 3 comments

#15 - [Documentation] API docs section not compiled correctly

Issue - State: closed - Opened by exs-cbouy over 1 year ago - 1 comment

#14 - [Documentation] Tests

Issue - State: closed - Opened by exs-cbouy over 1 year ago - 3 comments

#13 - [Documentation] Lack of community guidelines

Issue - State: closed - Opened by exs-cbouy over 1 year ago - 2 comments

#12 - [Documentation] Statement of need missing from docs

Issue - State: closed - Opened by exs-cbouy over 1 year ago - 2 comments

#11 - [Functionality] Lack of feature scaling for Kmedoids

Issue - State: closed - Opened by exs-cbouy over 1 year ago - 1 comment

#10 - Development

Pull Request - State: closed - Opened by JustinYKC over 1 year ago

#9 - Feature/benchmark data preprocessing

Pull Request - State: closed - Opened by JustinYKC over 1 year ago - 1 comment

#8 - Change the method for seed generation used in conformer generation

Pull Request - State: closed - Opened by JustinYKC almost 2 years ago

#7 - Update development with master

Pull Request - State: closed - Opened by JustinYKC almost 2 years ago

#6 - Molecules which cannot be embedded return None, handle this

Pull Request - State: closed - Opened by stevenshave almost 2 years ago

#5 - Refactoring into a package

Pull Request - State: closed - Opened by stevenshave almost 2 years ago

#4 - Replace slow kmeans code

Issue - State: closed - Opened by stevenshave almost 2 years ago - 1 comment

#3 - Packaging

Issue - State: closed - Opened by stevenshave almost 2 years ago - 1 comment

#2 - Profiling

Issue - State: closed - Opened by stevenshave almost 2 years ago - 1 comment

#1 - Add test and benchmark framework

Pull Request - State: closed - Opened by stevenshave about 2 years ago