Skip to content

Fragmentation issues #5

Description

@PatWoo23

Hi! I have followed your codes to generate the fragments. How do you handle the following fragments?

Processed 3300 fragments so far. Current fragment SMILES: [13*]O
Processed 3400 fragments so far. Current fragment SMILES: [14*]C
Processed 3500 fragments so far. Current fragment SMILES: [15*]C

Also, I wonder how do you handle kekulization issue?

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Fields

    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