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1.1.0 Beta 1

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@JensKrumsieck JensKrumsieck released this 16 May 13:19
· 62 commits to next since this release

THIS IS A NON-STABLE PRE-RELEASE! Use 1.0.x in production!

Breaking Changes:

  • Added the new Formats for Structural Files!
  • DataProviders are obsolete for Structural Files!
  • Use Molecule.FromX instead of MoleculeFactory

Changes

  • Molecules are UndirectedGraphs now!
  • new Format: mmCIF
  • new Format: PDB Ligand CIF
  • Performance Improvements (up to 10x faster)
  • More Codegenerators
  • Use XUnit for tests

Full Changelog: v1.0.15...v1.1.0-beta.1