limei0307
commented
1 year ago Hi @pearl-rabbit, sure, you can use other networks to encode the atomic type, for example, change the Embedding function to one_hot function.
95 is a commonly used default value in some previous work. You can change it to other values based on your dataset. Usually, you can set it to the max integer value in your dataset.
@limei0307 Hello,I have a question about the initialization section.Why is the 'num_embedding' of the network(https://github.com/divelab/DIG/blob/dig-stable/dig/threedgraph/method/spherenet/spherenet.py#L59) 95？
The input atomic type is an integer, but if I want to input an atomic type with another meaning of an integer, how should I set this value? And if the input atomic type is encoded with one-hot,can I replace 'Embedding()' with another network?