Made default run_stoned argument use basic instead of semantically robust alphabet, as claimed in documentation
2.0.0
* Added surrogate model explanation method * Added support for attributing ECFP, MACCS fingerprints, rdkit descriptors and plotting them * Example notebooks for new method * Fixed chirality stripping in sanitize * Made it possible to use multiple base molecules for ECFP descriptors
2.0.0.dev2
Pre-release 2
- Added surrogate model explanation method - Added support for attributing ECFP, MACCS fingerprints, rdkit descriptors and plotting them - Example notebooks for new method - Fixed chirality stripping in sanitize - Made it possible to use multiple base molecules for ECFP descriptors
2.0.0dev1
**Pre-release**
* Added surrogate model explanation method * Added support for attributing ECFP, MACCS fingerprints, rdkit descriptors and plotting them * Example notebooks for new method
1.1.0
Removed need for `model(s)` functions to take both SMILES and SELFIES.
1.0.2
* Switched to bulk Tanimoto to improve speed * Tightened chemed api limit