LPDI-EPFL / masif

MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
Apache License 2.0
571 stars 151 forks source link

Pretrained model for the second stage alignment #50

Open GoranM88 opened 1 year ago

GoranM88 commented 1 year ago

Hi!

In MaSIF search protocol I'm trying to run second stage alignment by using the pretrained model, however in the directory /masif/data/masif_pdl1_benchmark/models/nn_score there are only .index and .data files. Is it possible to provide the trained_model.hdf5 file that is being called by score_nn.py script?

Thank you so much, Goran