Skip to content

Scalar, vector and tensor properties #339

@marvcks

Description

@marvcks

When reading the TensorNet paper (TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials), specifically in section A.3, the authors describe the details of training on scalar, vector, and tensor properties of ethanol.

It turns out that a special output model is required to learn dipole and tensor properties. However, I couldn’t find the corresponding code (output model for dipole and tensor properties) in the repository. Could you please provide the code or point me to where it is located, so I can reproduce the results from the paper?

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