Skip to content

v0.2.0

Pre-release
Pre-release
Compare
Choose a tag to compare
@github-actions github-actions released this 17 Mar 14:40
aef4ed1

0.2.0 (2023-03-17)

Features

  • add converters and decimer modules (91778b5)
  • add documentation (fab28a9)
  • add logo (f24a7ce)
  • add MMFF94 optimization (4ca0d01)
  • add pytest (259f404)
  • add pytest to dev-build (ae067d8)
  • add RDKit random 3D conformer generation (c78553b)
  • add ReadMe (d426803)
  • added code comment blocks, added additional endpoints for inchi, inchikey and cannonicalisation, merges smiles conversion from iupac / selfies (81a6d3e)
  • create CITATION.cff (de4289d)
  • initial tests and fix selfies decoder (839e908)
  • linted code, merged mol end point and added extra query parameter to choose generator (32cc977)

Bug Fixes