1.2.0

What's Changed

• Now compatible with Matchms>=0.14

1.1.1

What's Changed

• change version and changelog by @niekdejonge in #189

Full Changelog: 1.1.0...1.1.1

1.0.1

Small bug fixes

1.0.0

What's Changed

Added

• Added compound classes to sqlite file
• Compound classes are now automatically added in the library file creation pipeline.
• Smiles are added from the specific spectrum instead of from the inchikey.

Removed

• Compound classes cannot be added from csv file anymore. Download the newest version of the sqlite file to have compoudn classes again.

Changed

• Zenodo link is set to latest version instead of specific version.

Code structure

• Unit tests had mayor reformatting
  • Better use of global fixtures
  • Remove pickled results table files

Full Changelog: 0.7.4...1.0.0

0.7.4

What's Changed

• set pandas to <2.0.0 by @niekdejonge in #181

Full Changelog: 0.7.3.2...0.7.4

0.7.3.2

Fix tensorflow-metal version

0.7.3.1

Fix tensorflow macos M1 chip issues

0.7.3

Fix issues tensorflow macos.

0.7.2

What's Changed

• Clean up readme and downloading by @niekdejonge in #178

Full Changelog: 0.7.1...0.7.2

0.7.1

What's Changed

• Define zenodo doi by @niekdejonge in #177

Full Changelog: 0.7.0...0.7.1