HF RL Explorer

HBondAcceptorCountDescriptor undercounts carbonyl oxygens attached to aromatic rings

HBondAcceptorCountDescriptor undercounts carbonyl oxygens attached to aromatic rings: a task in MiMo-V2.6-RL-harbor-code: MiMo-V2.6-RL Code (Harbor) (Harbor dataset). I'm using HBondAcceptorCountDescriptor to compute nHBAcc for a screening set and noticed it gives 0 for molecules that obviously…

The task

I'm using `HBondAcceptorCountDescriptor` to compute `nHBAcc` for a screening set and noticed it gives 0 for molecules that obviously have a hydrogen-bond-accepting carbonyl, as long as the carbonyl carbon happens to be part of an aromatic ring.

Part of FineEnvs/MiMo-V2.6-RL-harbor-code.