Currently, only molecule generation is only supported from sdf formats or smiles.
This PR adds sdf and molecule generation from inchi strings.
The current libinchi version v1.05 does not support generation of chiral sdf files. If we would update to libv1.06 we would also parse chiral inchi strings.
mojaie
commented
1 year ago
Currently, only molecule generation is only supported from sdf formats or smiles. This PR adds sdf and molecule generation from inchi strings. The current libinchi version v1.05 does not support generation of chiral sdf files. If we would update to libv1.06 we would also parse chiral inchi strings.