IUPAC-InChI/InChI

Issues

• BitDefender is detecting inchi-1.exe 1.07 as a virus

  #54 opened a month ago by MikeWilliams-UK
  9

• remove references to previous inchi license

  #33 opened 2 months ago by giallu
  18

• MOBILE_H syntax error observed with v1.07 I/O validation

  #43 opened 2 months ago by baleland
  14

• Atomic isotopes need to be fixed

  #51 opened a month ago by stuchalk
  4

• 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 opened 2 months ago by gblanke02
  0

• V3000 Molfile with empty bond block gives error

  #52 opened 2 months ago by flange-ipb
  0

• Parametrize version and file header

  #2 opened a year ago by JanCBrammer
  12

• Automatically build PDF documentation

  #26 opened 3 months ago by JanCBrammer
  2

• Make README more agnostic to version

  #48 opened 2 months ago by JanCBrammer
  0

• The ideal developer - part of a Faraday discussion paper from Frank Neese

  #47 opened 2 months ago by schatzsc
  0

• Run invariance tests on `alpine` / `musl`

  #13 opened 7 months ago by JanCBrammer
  3

• v1.07 no longer seems to work in multiple threads

  #39 opened 2 months ago by greglandrum
  17

• CI: Extract duplicated InChI compilation step into composite action

  #46 opened 2 months ago by JanCBrammer
  1

• Run tests against external datasets

  #16 opened 2 months ago by JanCBrammer
  1

• Relax NumPy version restriction

  #35 opened 2 months ago by JanCBrammer
  0

• Seqmentation fault in inchi-1.exe with /InChI2InChI validation

  #28 opened 2 months ago by baleland
  3

• Issues with InChI I/O with /FixedH

  #27 opened 2 months ago by baleland
  23

• Chiral spiro compounds are labelled achiral, InChI generated is incorrect

  #40 opened 2 months ago by supersciencegrl
  9

• Crash in v1.07.1 source in InChI I/O testing

  #44 opened 2 months ago by baleland
  5

• Replicate bug reports with unit tests

  #45 opened 2 months ago by JanCBrammer
  0

• aarch64 build reports as 32 bit

  #10 opened 7 months ago by vfscalfani
  6

• Update regression reference to v1.07.0

  #30 opened 3 months ago by JanCBrammer
  0

• WarnOnEmptyStructure option broken since 1.06

  #25 opened 3 months ago by wijnand1
  8

• Double bond stereo handling regression in version 1.07-beta.3

  #9 opened 7 months ago by IstvanOri
  6

• `SourceForge` tickets

  #24 opened 5 months ago by JanCBrammer
  0

• Clean up documentation

  #4 opened 2 years ago by JanCBrammer
  0

• Deduplicate multiple fragments

  #22 opened 5 months ago by gblanke02
  2

• InChI tautomeric region inconsistency for S and P atoms as center

  #23 opened 5 months ago by gblanke02
  1

• Implement "expected to fail" functionality

  #21 opened 5 months ago by JanCBrammer
  1

• Update references for regression tests

  #5 opened 7 months ago by JanCBrammer
  1

• Log molfiles that produce invariance test failures

  #15 opened 7 months ago by JanCBrammer
  1

• Invariance tests

  #7 opened 7 months ago by JanCBrammer
  2

• Roundtrip tests

  #12 opened 7 months ago by JanCBrammer
  0

• Unit tests

  #17 opened 6 months ago by JanCBrammer
  0

• Pin versions of test dependencies

  #20 opened 5 months ago by JanCBrammer
  1

• Evaluate dependency on `SDF-pipeline`

  #14 opened 5 months ago by JanCBrammer
  1

• RecMet problem with chlorides

  #19 opened 6 months ago by fbaensch-beilstein
  3

• Remove dead code

  #18 opened 6 months ago by JanCBrammer
  0

• Release automation

  #1 opened 10 months ago by JanCBrammer
  1

• Copyright notation inconsistencies

  #8 opened 8 months ago by merkys
  4

• Ensure consistent Python and GCC version across all test environments

  #11 opened 7 months ago by JanCBrammer
  0

• Google OSS-Fuzz

  #3 opened 2 years ago by JanCBrammer
  1