mindchemistry.cell

API Name

Description

Supported Platforms

mindchemistry.cell.Allegro

Allegro model.

Ascend

mindchemistry.cell.AutoEncoder

The AutoEncoder Network.

Ascend

mindchemistry.cell.FCNet

The Fully Connected Network.

Ascend

mindchemistry.cell.MLPNet

The MLPNet Network.

Ascend

mindchemistry.cell.orb.AttentionInteractionNetwork

Attention interaction network.

Ascend

mindchemistry.cell.orb.EnergyHead

Graph-level energy prediction head.

Ascend

mindchemistry.cell.orb.GraphHead

Graph-level prediction head.

Ascend

mindchemistry.cell.orb.MoleculeGNS

Molecular graph neural network.

Ascend

mindchemistry.cell.orb.NodeHead

Node-level prediction head.

Ascend

mindchemistry.cell.orb.Orb

Orb graph regressor.

Ascend