IUPAC-InChI InChI issues

IUPAC-InChI / InChI

Main InChI repository

https://iupac-inchi.github.io/InChI-Web-Demo/

MIT License

69 stars 9 forks source link

issues

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Update of the license text

#70 gblanke02 opened 4 days ago
0
The InChI Web Demo does not work with Brave Browser on Windows (M-Nicklaus)

#69 gblanke02 closed 1 week ago
1
InChI 1.07 polymer question - InChI to Polymer transfer problems in 1.07 (but not 1.06)

#68 gblanke02 opened 1 week ago
1
Failure in `GetStructFromInchi()` with v1.07.2 that was previously not there with v1.06

#67 greglandrum opened 2 weeks ago
2
suggest: edit sequence and description tautomerism options

#65 nbehrnd opened 1 month ago
11
SMILES?

#63 ChemMitch closed 3 weeks ago
5
Fix macOS dylib file name

#62 cho-m closed 1 month ago
1
feature suggest: extend version information in the compiled executable

#61 nbehrnd closed 2 weeks ago
3
Discovered 4 use-of-uninitialised-memory bugs while testing fuzzing harnesses

#60 skorpion98 opened 2 months ago
2
Discovered 3 undefined-behaviors while testing fuzzing harnesses

#59 skorpion98 opened 2 months ago
2
Calloc-parameters-overflow in function `ParseSegmentFormula()`

#58 skorpion98 opened 2 months ago
2
Remove SDF_LBL_VAL macro

#57 giallu closed 2 months ago
9
inconsistent/incorrect line endings in repository

#56 giallu closed 2 months ago
4
move inchi-1 specific functions out of library

#55 giallu opened 2 months ago
3
BitDefender is detecting inchi-1.exe 1.07 as a virus

#54 MikeWilliams-UK opened 2 months ago
21
Unlike in the tautomer 1.06 pre release, the 1.07 library does not work for the tautomer transformationss that have been added by Igor Filippov

#53 gblanke02 opened 2 months ago
1
V3000 Molfile with empty bond block gives error

#52 flange-ipb closed 1 month ago
13
Atomic isotopes need to be fixed

#51 stuchalk closed 2 months ago
4
Customizable devcontainer

#50 giallu closed 3 months ago
0
allow customization of test library path location

#49 giallu closed 3 months ago
1
Make README more agnostic to version

#48 JanCBrammer opened 3 months ago
4
The ideal developer - part of a Faraday discussion paper from Frank Neese

#47 schatzsc closed 2 months ago
1
CI: Extract duplicated InChI compilation step into composite action

#46 JanCBrammer closed 3 months ago
1
Replicate bug reports with tests

#45 JanCBrammer closed 2 months ago
1
Crash in v1.07.1 source in InChI I/O testing

#44 baleland closed 3 months ago
5
MOBILE_H syntax error observed with v1.07 I/O validation

#43 baleland opened 3 months ago
19
Synchronise rwth with main

#42 djb-rwth closed 3 months ago
0
Version 1.07.1

#41 djb-rwth closed 3 months ago
0
Chiral spiro compounds are labelled achiral, InChI generated is incorrect

#40 supersciencegrl opened 3 months ago
10
v1.07 no longer seems to work in multiple threads

#39 greglandrum opened 3 months ago
28
Remove uninitialised n and no longer need the grp variable.

#38 johnmay closed 3 months ago
0
Move build system to cmake

#37 giallu opened 3 months ago
0
Replace memchr() check with a new function to check the element group.

#36 johnmay closed 3 months ago
1
Relax NumPy version restriction

#35 JanCBrammer opened 3 months ago
1
replace all instances of old license text. Fixes #33

#34 giallu closed 3 months ago
7
remove references to previous inchi license

#33 giallu closed 3 months ago
18
Element switches

#32 johnmay closed 4 months ago
1
Faster Element Symbol Handling

#31 johnmay closed 4 months ago
2
Update regression reference to v1.07.0

#30 JanCBrammer opened 4 months ago
0
Copying main to rwth branch

#29 djb-rwth closed 4 months ago
0
Seqmentation fault in inchi-1.exe with /InChI2InChI validation

#28 baleland closed 3 months ago
3
Issues with InChI I/O with /FixedH

#27 baleland closed 3 months ago
23
Automatically build PDF documentation

#26 JanCBrammer opened 4 months ago
2
WarnOnEmptyStructure option broken since 1.06

#25 wijnand1 closed 4 months ago
8
`SourceForge` tickets

#24 JanCBrammer opened 6 months ago
0
InChI tautomeric region inconsistency for S and P atoms as center

#23 gblanke02 opened 6 months ago
1
Deduplicate multiple fragments

#22 gblanke02 opened 6 months ago
2
Implement "expected to fail" functionality

#21 JanCBrammer closed 6 months ago
1
Pin versions of test dependencies

#20 JanCBrammer closed 6 months ago
1
RecMet problem with chlorides

#19 fbaensch-beilstein opened 6 months ago
3