M^4olGen: Multi-Agent, Multi-Stage Molecular Generation under Precise Multi-Property Constraints
IntermediateYizhan Li, Florence Cloutier et al.Jan 15arXiv
The paper introduces M^4olGen, a two-stage system that designs new molecules to match exact numbers for several properties (like QED, LogP, MW, HOMO, LUMO) at the same time.
#molecular generation#multi-property optimization#fragment-level editing