Comments (2)
Thanks for your interest in our work. You can find the example code here (new commit) (code).
To include extra node features, you can provide extra node features node_feature to the model, as shown here.
When calling the SphereNet model, you need to set use_extra_node_feature=True
and extra_node_feature_dim=your_dim
.
For example, you can use
model = SphereNet(energy_and_force=False, cutoff=5.0, num_layers=4, hidden_channels=128, out_channels=1, int_emb_size=64, basis_emb_size_dist=8, basis_emb_size_angle=8, basis_emb_size_torsion=8, out_emb_channels=256, num_spherical=3, num_radial=6, envelope_exponent=5, num_before_skip=1, num_after_skip=2, num_output_layers=3, use_node_features=True, use_extra_node_feature=True, extra_node_feature_dim=3 )
Let us know if you have other questions. Thanks.
from dig.
Hi @limei0307,
This is just amazing! Thank you very much, I really appreciate it.
Kindest Regards,
Leonardo
from dig.
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