Skip to content

Releases: whitead/molbloom

v2.1.0

11 Mar 04:54

Choose a tag to compare

Added surechembl database to check for novelty of compounds. Low FPR of 0.000025

v2.0.0

12 Dec 07:43
1ed79a6

Choose a tag to compare

Added

  • Docstrings for custom filter building
  • Referred to Small World unofficial API in README
  • Citation

Removed

  • Removed buy_similar, since it duplicates Small World API fun

v1.0.0

11 Nov 01:47

Choose a tag to compare

  • Added buy_similar function to query online database for similar compounds

v0.3.0

31 Oct 01:00

Choose a tag to compare

  • Reduced package size
  • Improved managing of filters
  • Added zinc mini filter

v0.2.0

30 Oct 21:37

Choose a tag to compare

  • Added custom filters + docs
  • Added canon function for ease of canonicalization

v0.1.5

30 Oct 16:05

Choose a tag to compare

  • Initial public release and added wheel support

v0.1.2

30 Oct 14:08

Choose a tag to compare

v0.1.2 Pre-release
Pre-release

Changing to source dist, to avoid wheel binary incompatibilities we're seeing

v0.1.0

30 Oct 03:00

Choose a tag to compare

v0.1.0 Pre-release
Pre-release

Added cython to build dependency

v0.0.2

30 Oct 02:41

Choose a tag to compare

v0.0.2 Pre-release
Pre-release

Added instock dataset

v0.0.1

30 Oct 00:25

Choose a tag to compare

v0.0.1 Pre-release
Pre-release

Initial public release