Update README.md

labdao · Jun 22, 2023 · 78a93dd · 78a93dd
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@@ -90,11 +90,7 @@ An example .csv is at `data/protein_ligand_example_csv.csv` and you would use it
 
 And you are ready to run inference:
 
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     python -m inference --protein_ligand_csv data/protein_ligand_example_csv.csv --out_dir results/user_predictions_small --inference_steps 15 --samples_per_complex 10 --batch_size 10 --actual_steps 18 --no_final_step_noise
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-    python -m inference --protein_ligand_csv data/protein_ligand_example_csv.csv --out_dir results/user_predictions_small --inference_steps 20 --samples_per_complex 40 --batch_size 10 --actual_steps 18 --no_final_step_noise
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 When providing the `.pdb` files you can run DiffDock also on CPU, however, if possible, we recommend using a GPU as the model runs significantly faster. Note that the first time you run DiffDock on a device the program will precompute and store in cache look-up tables for SO(2) and SO(3) distributions (typically takes a couple of minutes), this won't be repeated in following runs.