HBondAcceptorCountDescriptor undercounts carbonyl oxygens attached to aromatic rings
HBondAcceptorCountDescriptor undercounts carbonyl oxygens attached to aromatic rings: a task in MiMo-V2.6-RL-oss: Agentic RL Environments (MiMo RL release). HBondAcceptorCountDescriptor undercounts carbonyl oxygens attached to aromatic rings I'm using HBondAcceptorCountDescriptor to compute nHBAcc…
The task
HBondAcceptorCountDescriptor undercounts carbonyl oxygens attached to aromatic rings 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…
Part of XiaomiMiMo/MiMo-V2.6-RL-oss.