ODDT 0.7

• Support recent RDKit and Openbabel
• Implement PDBfixer (@marta-sd)
• Fixed ECFP bugs
• Last release that supports Python 2.7
• a lot of bug fixes

ODDT 0.6

• Virtual Screening module has been rewritten to use batches of ligands
• Implement scoring functions based on PLEC fingerprints (linear, nn and rf)
• Add mol.calccharges method to RDKit backend
• Introduce resid and resnum uniformly to both toolkits (index and PDB number)
• generators of diverse conformers for OB and RDKit backends
• PLEC fingerprint bug fixes
• testing is now done by Pytest

ODDT 0.5

• Protein-Ligand Extended Connectivity (PLEC) fingerprint
• PDBQT reader and writer for RDKit + Vina support
• DUD-e database wrappers
• standard deviation (SD) metric used in CASF
• RIE and BEDROC metrics
• minor bug fixes

Stable release 0.4.1

• Issue warning if maximum allowed neighbor count is reached in atom_dict

Stable release 0.4

• Interaction Fingerprints (IFP, SIFP, SPLIF);
  by Michał Kukiełka (@mkukielka)
• Ultrafast Shape Recognition methods (USR, USRCAT, Electroshape);
  by Paulina Knut (@pknut) and Kinga Szyman (@kinga322)
• Extended connectivity fingerprints ECFP (internal implementation)
• Python 3.6 support

Stable release 0.3.2

• use scikit-learn MLP instead of ffnet
• many bugfixes
• extensive code base testing

0.2 Release

• CLI support (oddt_cli and oddt_debug)
• Preliminary Python 3.x support
• Many bugfixes

Another try to fix Conda

0.1.15

Final conda fix

Conda deployment

0.1.14

Remove redundant travis code

Another conda fix

0.1.13

Remove redundant travis code