DiffDock command line argument

gcorso / DiffDock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

https://arxiv.org/abs/2210.01776

MIT License

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DiffDock command line argument #207

Open KeaunAmani opened 3 months ago

KeaunAmani commented 3 months ago

I would like to know the following about some of the command line arguments DiffDock uses:

For inference_steps & actual_steps what are the recommended values and does increasing or decreasing these values improve performance? Also what do these options do?

Does no_final_step_noise improve accuracy?