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Change Log

All notable changes to this project will be documented in this file. This project adheres to Semantic Versioning. The file is formatted as described on http://keepachangelog.com/.

Unreleased

[3.0.1] - 2023-11-22

Changed

  • Require KNIME 5.1

[3.0.0] - 2021-02-12

Removed

  • Python based nodes in favour of web service nodes (#25)

2.5.0 - 2019-09-25

Deprecated

  • Python based nodes in favour of web service nodes (#25)

2.4.2 - 2019-07-02

Changed

  • Requires KNIME 4.0 (#29)

2.4.1 - 2018-04-04

Fixed

  • Last update of web service in node description [#28]

[2.4.0] - 2018-02-07

Changed

  • Allow KripoDB local nodes to use Python 2 or 3
  • Require KNIME 3.5

2.3.0 - 2017-07-21

Added

  • Node to fetch pharmacophore from local db file (#12)
  • Node to fetch pharmacophore from webservice (#12)

Changed

  • Require KNIME 3.3

2.2.1 - 2017-03-07

Fixes

  • Handle nulls in server responses (#23)

2.2.0 - 2017-03-05

Added

  • Pure Java nodes to fetch fragment information and similarites from web service (#17)

Changed

  • Python nodes only work for local files, no longer for web service urls

2.1.5 - 2017-03-01

Requires KripoDB v2.2.0 or higher.

Added

  • Fragment information node fails completely when just one of the fragment ids is wrong (#11)
  • Fragment similarity node gives warnings for query fragment ids that can not be found

2.1.4

Retracted due to unresolved compilation problems.

2.1.3 - 2017-01-20

Added

  • kripodb Python installation instruction in node description (#16)
  • code coverage (#19)

Changed

  • Allow fragments db to be a webservice url (#15)
  • Tests run against mocked web service (#18)

2.1.2 - 2016-11-22

Fixed

  • Correct fragments.sqlite url (#14)

2.1.1 - 2016-07-18

Changed

  • Nest Kripo nodes under /community/3D-e-Chem (#7)

2.1.0 - 2016-07-14

Added

  • Explained fragments db file choices (#6)
  • Explained similar fragments matrix file options (#5)

Changed

  • Renamed distance to similarity (#9)

Removed

  • Python templates

2.0.1 - 2016-07-11

Changed

2.0.0 - 2016-07-06

Version <2.0.0 used Python templates which could be selected as source code and adjusted in a text area in the Python script node. Version >= 2.0.0 uses KripoDB Knime node which have there own dialog with combo boxes and file pickers.

Added

  • Workflow tests
  • Run workflow tests on Travis-CI
  • Codacy badge
  • Check that Python packages are available before executing

Changed

  • Use KripoDB Knime node instead of Python node with a KripoDB template (#3)

1.0.3 - 2016-06-21

Added

  • bioisosteric replacement workflow

Fixed

  • Example 'Add fragment for hits' node returns too many rows (#2)

1.0.2 - 2016-05-25

Added

  • Use webservice in template and example (#1)

1.0.1 - 2016-04-18

Added

  • Distance matrix can be local file or kripodb webservice base url.

Removed

1.0.0 - 2016-02-12

Added

  • Python templates to use KripoDB package
  • Example workflow on Github repo.