Ecosyste.ms: Issues

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GitHub / patwalters/rd_filters issues and pull requests

#27 - Revamp and simplify code, tests, build; add CI/CD

Pull Request - State: open - Opened by dmyersturnbull over 1 year ago - 1 comment

#26 - Fix explicit hydrogen smarts

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

#17 - Mismatching pattern due to RDKit aromaticity model

Issue - State: open - Opened by DrrDom over 3 years ago - 1 comment

#17 - Mismatching pattern due to RDKit aromaticity model

Issue - State: open - Opened by DrrDom over 3 years ago - 1 comment

#16 - more unixish behavior

Issue - State: open - Opened by UnixJunkie over 3 years ago - 3 comments

#15 - nowadays, my machine doesn't have python

Pull Request - State: closed - Opened by UnixJunkie over 3 years ago

#13 - Bash wrapper

Pull Request - State: closed - Opened by UnixJunkie over 3 years ago

#12 - fix RDFilters.evaluate return value when smiles conversion fails

Pull Request - State: closed - Opened by JohnRyanAudio about 4 years ago

#11 - How is the priority defined ?

Issue - State: closed - Opened by MehdiABM almost 5 years ago - 1 comment

#10 - Stoping Early: Large Smi File

Issue - State: closed - Opened by jacob-r-anderson almost 5 years ago - 1 comment

#9 - inelegant exit for smiles file with no names

Issue - State: open - Opened by MikeBowerReverie almost 5 years ago - 3 comments

#8 - BMS "contains_metal" filter hits aromatic sulfurs

Issue - State: closed - Opened by MikeBowerReverie almost 5 years ago - 2 comments

#7 - How are valence errors handled?

Issue - State: closed - Opened by mlkelly14 over 5 years ago - 1 comment

#6 - multiprocessing

Issue - State: closed - Opened by shhong0 over 5 years ago - 1 comment

#5 - conda installation

Issue - State: closed - Opened by ValeryPolyakov over 5 years ago - 8 comments

#4 - SMARTS Parse error for rule 194

Issue - State: closed - Opened by pieterhbos about 6 years ago - 1 comment

#3 - CF2 SMARTS

Issue - State: closed - Opened by adalke over 6 years ago - 3 comments

#2 - make rd_filter as a python package

Pull Request - State: closed - Opened by hsiaoyi0504 over 6 years ago

#1 - Python package

Issue - State: closed - Opened by hsiaoyi0504 over 6 years ago - 1 comment