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CHANGELOG.rst

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Change Log

All notable changes to this project will be documented in this file. This project adheres to Semantic Versioning.

0.3.1 [unreleased]

  • placeholder.

0.3.0 [03/12/2021]

  • Release flamingo on pypi (#64)
  • Run all the filters in parallel (#38)
  • Filter molecules with a single functional group (#43)
  • Add interface to cosmo-rs (#5)

0.2.1 [14/01/2021]

Change

  • Use all the available CPU to compute bulkiness with CAT by calling the imap_unordered Pool's method.
  • Remove the batch_size input parameter and fix it to 1000.

0.2.0 [03/11/2020]

Added

  • Workflow to compute properties using CAT

0.1.0 [14/10/2020]

Added