v0.3.7

Fixed

• pharmacophore (2D pharmacophore fingerprint) no longer raises IndexError: distance bin not found for about 1 in 5 drug-like molecules (21.8% of 2,006 PubChemQC molecules tested). The RDKit signature factory was built with triangle pruning, which assumes the three distances of a 3-point pharmacophore obey the triangle inequality; distances between multi-atom features such as aromatic rings do not always do so. The factory is now built with trianglePruneBins=False.
• Breaking: the fingerprint grows from 2,988 to 3,348 bits and bit positions change; retrain any model built on it. Molecules that worked before set the same number of bits.