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RELEASE.md

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Release history

0.7.1

  • docs: use nbsphinx to showcase usage
  • feat: silence RDKit warnings
  • fix: sqlite3 IntegrityError with new results and commit
  • fix: remove all rule_mol already yield in compute()

0.7.0

  • docs: sphinx documentation is available
  • fix: processes don't hang anymore!
  • refactor!: replace multiprocessing by pebble
  • refactor!: JSON export in the CLI + compute as a generator
  • refactor!: compute couples of rule x chemicals
  • feat!: sqlite3 as a cache database + return rdkit Mol object
  • feat!: create sqlite3 database from retrorules
  • feat: small optimization of memory usage
  • feat: support for stoichiometry
  • feat: compute on subsets of rules or chemicals
  • feat: fusion project rpchemtools
  • ci: package publication is automated by github workflows

0.6.2

  • docs: install instructions update
  • chore: introduce RELEASE file

0.6.0

  • BREAKING CHANGE: move core methods to Core script
  • docs: fix set up development environment

0.5.0

  • fix: clean-up Pool after compute()
  • chore: CI with github action
  • doc: updated README