Skip to content

Supervised learning example?  #1

@etsi123

Description

@etsi123

Hey everyone,

Does anyone have an example of how to setup a machine learning example given a vector of labels and smiles strings. In rdkit, this is relatively straightforward to do,

mol = Chem.MolFromSmiles(smiles)
fp = AllChem.GetMorganFingerprintAsBitVector(mol,radius = radius,nBits = nBits) 

Is there something similar I can do using OESS? Having trouble finding documentation on this part.

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions