v2.2.1

v2.2.1

• add generate_sig_smi() for cipher db usage

v2.2

CANDO v2.2

Updates and new features:

• New add_cmpds() function
• Predict side effects/adverse events and drug-drug interactions
• Machine learning prediction method
• New de novo canpredict method
• Updated BANDOCK implementation
• Various bug fixes

v2.1

Newest release

• Bug fixes
• Updated versioning scheme - converge to e - only 1 decimal separator

v2.0.2

Update generate_matrix(), add more variables to objects, and other features.

v2.0.1

Fixes:

• change openbabel dependency from 3.0.0 to 2.4.1 so pybel is installed.

v2.0.0

This is the first official python release of the CANDO platform.