Skip to content

ensure smiles are canonicalized in generate API #23

@anmorgunov

Description

@anmorgunov

turns out the planner may have spectacularly different performance if target smiles is not canonicalized

we should just take care of it in generate.generate_routes

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type
    No fields configured for issues without a type.

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions