llevoc

Sorry for jumping on this issue, but maybe someone has a clue about a solution. fsitgl-xfer03p.ncifcrf.gov|54: more benchmark_tiny_zhang.sh #!/bin/bash neuralplexer-inference --task=batched_structure_sampling --input-receptor 'EDKYTDKYDNINLDEILANKRLLVAYVNCVMERGKCSPEGKELKEHLQDAIENGCKKCTENQEKGAYRVIEHLIKNEIEIWRELTAKYDPTGNWRKKYEDRAKAAGIVIPEE' --input-ligand ./d ata/ligand/BDD_ideal.sdf --out-path ./output_rcsb/1KX9 --model-checkpoint ./neuralplexermodels_downstream_datasets_predictions/models/complex_structure_prediction.ckpt...