Synomega

Retrosynthesis with the synomega Python package (pip install synomega) — single-step reactant prediction, multi-step route planning, and a continuous synthesizability score (bb-coverage) for a target molecule given as SMILES. Use this whenever the user asks whether or how a molecule can be synthesized, wants candidate disconnections/reactants, wants a full synthesis route down to purchasable building blocks, or wants to rank/score molecules by makeability.

by @zbc0315 (zhangbc)·MIT-0