cheminformatics-python-microservice

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)

• add citation (d0ec378)
• file name mismatch issue fix (502 error) (9fe53e5)
• GIF image conversion issue #38 (51817b8)
• hyperlinks of university (007631b)
• install pytest (a2a257b)
• linter errors (b720837)
• remove database.py (dc59266)
• remove requirement installtion (cf34a2c)
• rename converters to convert (563ceb7)
• replace branch reference (04fbc92)
• resolve pytest issue (2135952)
• resolved import convert error (421847b)
• test indentation and linting issues (424e09d)