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Issue running full atom joint model #39
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amitkadan
changed the title
Issue running full atom join model
Issue running full atom joint model
Oct 2, 2023
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Hi there, I am working on reproducing the results reported in the paper on the crossdocked dataset, and was able to successfully do so when running
test.py
with thecrossdocked_fullatom_cond
and thecrossdocked_ca_joint
model, i.e., by runningpython test.py crossdocked_ca_joint.ckpt --test_dir <crossdocked_dir>/processed_noH/test/ --outdir <output_dir> --sanitize --timesteps 50 --n_nodes_bias 5
However, when I try to run the
crossdocked_fullatom_joint
model I get,I tried running
generate_ligands.py
with this same model and parameters, and noticed that this error always arises after 5 diffusion steps. Am I doing something wrong when running this model? It seems be the right parameters as specified in the paper (i.e. 50 diffusion steps with 10 resampling steps).Thanks in advance,
Amit
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