v0.2.0

Protein–ligand and protein–protein interface features (Slices A & B).

Added

• Parallel featurize via --jobs / -j
• B-factor parsing and statistics
• Advanced interactions: cation-pi, pi-pi stacking, hydrophobic contacts
• GML and JSON graph export formats
• BinaryCIF parsing
• Structural primitives: SASA, RSA, DSSP secondary structure, dihedrals, RMSD (Kabsch), typed interactions
• CLI: rmsd, residues, ligands, interfaces
• Protein–ligand features with configurable LigandFilter
• Protein–protein interface metrics (BSA, patch area, Lawrence–Colman SC)

Changed

• Breaking: ligand_count in featurize uses filtered ligand definition

See CHANGELOG.md for full details.