Indigo 1.7.0
mkviatkovskii
released this
26 May 08:41
·
575 commits
to master
since this release
Features
- API web service: added /render endpoint for rendering compounds and reactions
- API: added logP calculation to Python API
- API: added atom hybridization calculation to Python API
- API: added salt stripping method to Python API
- Core: added support for multistep reactions
- Ketcher WASM API: added InChIKey calculation method
- API: Added Jupyter notebooks with examples of using Indigo in machine learning
- API: Added initial version of graph neural networks featurizers
Improvements
- ZLib updated to 1.2.12
- LibPNG updated to 1.6.37
- TinyXML updated to TinyXML2 9.0.0
- Bingo PostgreSQL support to Postgres 13 and 144 added, thanks @SPKorhonen,
dropped support for Postgres 9.6
Bugfixes
- Bingo Elastic: fixed exact search (#644)
- Core: ketcher format loader: options handling fixed (#588)
- API: Fixed
name()
calling for RXNV3000 format (#678) - Numerous fixes for Ketcher data format (#689, #711, #733, #734)
- API web service: fixed descriptors calculation
Full Changelog: indigo-1.6.1...indigo-1.7.0