Releases: ur-whitelab/exmol
Releases · ur-whitelab/exmol
v0.5.0
- Added custom lists for counterfactual source (contributed by @maclandrol)
Release 0.4.1
- Fixed bug in sequence mutation lengths in STONED algorithm
Release 0.4.0
- Refactored code into files
- Added SVG rewrite so mol structures are SVGs
- SVGs are handled with skunks
- Added cartoon style for scatter plot in plot_space
Release 0.3.2
- Added SMILES sanitization before generating sample space
Release 0.3.1
- Fixed num_samples not passed correctly
- Fixed unparsable SMILES coming from pubchem
Release 0.3.0
Added CHEMED method and progress bar
Developer Release 0.3.0-dev1
- Added new "ZINCED" method for restricting chemical space to purchasable compounds
- Added progress bar
Release 0.2.0
Initial packaged release