Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / Actelion/openchemlib issues and pull requests

#93 - get molweight without rounding off

Issue - State: open - Opened by epbpo over 1 year ago

#92 - SmilesParser is not idempotent

Issue - State: open - Opened by targos over 1 year ago

#91 - Remove duplicate clone in BaseConformer

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

#90 - refactoring added

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

#89 - Support for Nicknames

Issue - State: open - Opened by BobHanson over 1 year ago

#88 - CDXML reading

Issue - State: open - Opened by BobHanson over 1 year ago - 1 comment

#87 - File drop not implemented?

Issue - State: open - Opened by BobHanson over 1 year ago - 2 comments

#86 - proposal for asynchronous compatability with SwingJS

Issue - State: open - Opened by BobHanson over 1 year ago - 3 comments

#85 - error in double bond side logic

Issue - State: closed - Opened by BobHanson over 1 year ago - 4 comments

#84 - SVGDepictor extends AbstractDepictor<Void>

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

#83 - OpenChemLib in Jmol SwingJS - and InChI

Issue - State: open - Opened by BobHanson over 1 year ago - 10 comments

#82 - Support for doublet radicals in molfile parser

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

#81 - fix DiastereotopicAtomID

Pull Request - State: closed - Opened by targos almost 2 years ago - 1 comment

#80 - Change in the unique identifier (oclID)

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

#79 - v3000 problem

Issue - State: open - Opened by lpatiny almost 2 years ago - 2 comments

#77 - Interest in MMFF94 JUnit tests?

Issue - State: open - Opened by mjw99 about 2 years ago

#76 - Problem with colors

Issue - State: closed - Opened by lpatiny about 2 years ago - 3 comments

#75 - SMARTS_MODE_IS_SMILES and 'ABC'

Issue - State: closed - Opened by lpatiny about 2 years ago - 2 comments

#74 - Use smile from Maven Central

Pull Request - State: closed - Opened by mjw99 about 2 years ago

#73 - Fix deps for openjfx for versions greater than JDK11

Pull Request - State: closed - Opened by mjw99 about 2 years ago

#72 - Issue parsing an organometallic complex SMILES

Issue - State: open - Opened by felipe-imanishi over 2 years ago - 3 comments

#71 - Fix for FX testing with Java 8

Pull Request - State: closed - Opened by mjw99 over 2 years ago - 1 comment

#70 - Substructure search with wildcard

Issue - State: open - Opened by c-ruttkies over 2 years ago - 1 comment

#69 - Add initial Actions CI

Pull Request - State: closed - Opened by mjw99 over 2 years ago - 1 comment

#68 - CustomAtomLabels and molfile

Issue - State: open - Opened by lpatiny over 2 years ago

#67 - addImplicitHydrogens and helpers

Issue - State: open - Opened by lpatiny over 2 years ago - 1 comment

#66 - IDCodeParser(true) and coordinates

Issue - State: open - Opened by lpatiny almost 3 years ago - 1 comment

#65 - addImplicitHydrogens of N

Issue - State: closed - Opened by lpatiny about 3 years ago

#64 - Build error

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

#63 - Speed problem in openchemlib-js

Issue - State: open - Opened by lpatiny over 3 years ago - 4 comments

#62 - Bump junit from 4.9 to 4.13.1

Pull Request - State: closed - Opened by dependabot[bot] almost 4 years ago
Labels: dependencies

#61 - Different IDCodes for SMILES and MDL MOL

Issue - State: closed - Opened by c-ruttkies almost 4 years ago - 2 comments

#60 - Discrepancies in logS prediction

Issue - State: closed - Opened by c-ruttkies about 4 years ago - 4 comments

#59 - Mol to SMARTS

Issue - State: closed - Opened by c-ruttkies over 4 years ago - 4 comments

#58 - Wrong mapping with copyMoleculeByAtoms

Issue - State: open - Opened by lpatiny over 4 years ago - 2 comments

#57 - Hydrogens are not copied when using `copyMoleculeByAtoms`

Issue - State: open - Opened by lpatiny over 4 years ago

#56 - getPath reorder the atoms !

Issue - State: closed - Opened by lpatiny over 4 years ago - 1 comment

#55 - Library description needed

Issue - State: closed - Opened by merkys about 5 years ago - 2 comments

#54 - Stereochemistry and custom atom labels

Issue - State: open - Opened by lpatiny about 5 years ago - 1 comment

#53 - Bug in helpers ?

Issue - State: open - Opened by lpatiny about 5 years ago - 1 comment

#52 - Rendering of custom labels with special isotopes

Issue - State: closed - Opened by lpatiny about 5 years ago - 2 comments

#51 - Java source/target version 1.8 is required instead of the declared 1.6

Issue - State: closed - Opened by vaitkus about 5 years ago - 2 comments

#50 - Problem with SVG

Issue - State: open - Opened by lpatiny about 5 years ago

#49 - Conformation generation and symmetry

Issue - State: open - Opened by lpatiny about 5 years ago - 1 comment

#48 - Cyclohexane and twisted boat conformation

Issue - State: open - Opened by lpatiny about 5 years ago

#47 - Adding missing dependencies on javafx.*

Pull Request - State: closed - Opened by merkys about 5 years ago - 1 comment

#46 - Renaming some methods in ConformerGenerator ?

Issue - State: closed - Opened by lpatiny about 5 years ago - 4 comments

#45 - CLogPPredictor seems broken

Issue - State: closed - Opened by targos over 5 years ago - 3 comments

#44 - SVG generation and ID of bonds

Issue - State: closed - Opened by lpatiny over 5 years ago - 2 comments

#43 - Converting to InChI

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

#42 - Substructure search with query feature on bonds

Issue - State: closed - Opened by lpatiny almost 6 years ago - 2 comments

#41 - Pull requests and branch merge

Issue - State: closed - Opened by lpatiny almost 6 years ago - 2 comments

#40 - ring bond query feature

Issue - State: closed - Opened by lpatiny almost 6 years ago - 11 comments

#39 - Depiction of isotopes

Issue - State: closed - Opened by lpatiny almost 6 years ago - 1 comment

#38 - Axial chirality

Issue - State: closed - Opened by lpatiny almost 6 years ago - 2 comments

#37 - What is the best format to store and reload reactions ?

Issue - State: closed - Opened by lpatiny almost 6 years ago - 4 comments

#36 - fix(depictor): fillCircle receives diameter instead of radius

Pull Request - State: closed - Opened by targos almost 6 years ago - 2 comments

#35 - isomeric SMILES does not match Daylight's examples

Issue - State: closed - Opened by targos almost 6 years ago - 2 comments

#34 - Best way to implement reaction editor

Issue - State: closed - Opened by lpatiny almost 6 years ago - 1 comment

#33 - SMARTS Conversion to MOL removes mapping for hydrogen

Issue - State: open - Opened by Artoria2e5 almost 6 years ago - 1 comment

#32 - Coordinates change after parsing

Issue - State: closed - Opened by targos almost 6 years ago - 3 comments

#31 - joining 2 molfiles

Issue - State: closed - Opened by lpatiny almost 6 years ago - 2 comments

#28 - Incorrect order (?) of ring closure digits when writing SMILES

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

#27 - Generation of an aromatic SMILES with cis/trans bond but no double bond

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

#26 - New kekulization failures between 2017.09.0 and 2018.5.0

Issue - State: closed - Opened by baoilleach over 6 years ago - 2 comments

#25 - Change in behaviour of SmilesParser

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

#24 - License of BitUtils.java is unclear

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

#23 - Disagreements with SMILES valence model when reading SMILES

Issue - State: closed - Opened by baoilleach about 7 years ago - 4 comments

#22 - [se]1cccc1 not read (kekulization failure)

Issue - State: closed - Opened by baoilleach about 7 years ago - 1 comment

#21 - Hydrogen missing when reading SMILES

Issue - State: closed - Opened by baoilleach about 7 years ago - 1 comment

#20 - Question: Possible to generate aromatic SMILES?

Issue - State: closed - Opened by baoilleach about 7 years ago - 2 comments

#19 - Malformed output MOL V2000 files

Issue - State: closed - Opened by vaitkus about 7 years ago - 2 comments

#18 - CanonizerMesoHelper

Issue - State: closed - Opened by andcastillo about 7 years ago - 2 comments

#17 - Fix valence problem with diastereoID of heavy atom

Pull Request - State: closed - Opened by lpatiny about 7 years ago - 1 comment

#16 - SVG redering of NaH

Issue - State: closed - Opened by lpatiny over 7 years ago - 2 comments

#15 - error during parsing Smile

Issue - State: closed - Opened by thegodone over 7 years ago - 3 comments

#14 - SVG rendering of empty molecule has wrong dimensions

Issue - State: open - Opened by stropitek over 7 years ago

#13 - Bond width smaller than 1 -> 0

Issue - State: closed - Opened by lpatiny over 7 years ago - 1 comment

#12 - Angle in bonds

Issue - State: closed - Opened by lpatiny almost 8 years ago - 1 comment

#11 - fragment rendering of OH

Issue - State: closed - Opened by lpatiny almost 8 years ago - 2 comments

#10 - copyOf prevents GWT compilation

Issue - State: closed - Opened by lpatiny almost 8 years ago - 2 comments

#9 - no coordinates molfiles are not depicted anymore

Issue - State: closed - Opened by lpatiny almost 8 years ago - 3 comments

#8 - addImplicitsHydrogens

Issue - State: closed - Opened by lpatiny about 8 years ago - 2 comments

#7 - Obtaining version or build information?

Issue - State: closed - Opened by tdudgeon about 8 years ago - 4 comments

#6 - SSSearch Usage

Issue - State: closed - Opened by johnmay over 8 years ago - 3 comments

#5 - Maven repo

Issue - State: closed - Opened by tdudgeon over 8 years ago - 4 comments

#4 - Molecule: setFragment is not invertible

Issue - State: closed - Opened by targos almost 9 years ago - 2 comments

#3 - Classes for hoo4

Pull Request - State: closed - Opened by andcastillo almost 9 years ago

#2 - Packaging problems

Issue - State: closed - Opened by andcastillo almost 9 years ago - 1 comment

#1 - Remove java classes from dd_share

Issue - State: closed - Opened by rufenerc over 9 years ago