C4tenane

RuntimeError: cannot sample n_sample > prob_dist.size(-1) samples without replacement

3

Hello, I am trying to generate scaffold around a small molecule pdb. I think this is implemented using the potentials.py. Here is my command: ./scripts/run_inference.py inference.input_pdb=rif_64_fosaprepitant.rif.gz_target.pdb 'contigmap.contigs=[100-120]' inference.output_prefix=fos1/binder_test inference.num_designs=10 potentials.substrate=FOS...