consider Dimorphite-DL for protonation in molenc_ligprep.sh
UnixJunkie opened this issue · comments
Dimorphite-DL for protonation; http://durrantlab.com/dimorphite-dl/
MolEnc: a molecular encoder using rdkit and OCaml.
UnixJunkie opened this issue · comments
Dimorphite-DL for protonation; http://durrantlab.com/dimorphite-dl/