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by Zafira 264 days ago
Based on the paper for DiffDock (https://arxiv.org/abs/2210.01776) it looks like it was a great use case for a diffusion model.

> We thus frame molecular docking as a generative modeling problem—given a ligand and target protein structure, we learn a distribution over ligand poses.

I just hope work on these very valid use cases doesn’t get negatively impacted when the AI bubble inevitably bursts.