DiffDock: Molecular Docking with Diffusion Models
- **GitHub Repository**: https://github.com/gcorso/DiffDock
LLM Evaluation
Evaluated by: xiaomi/mimo-v2-flash:free
Last evaluated: March 29, 2026
Prompt Preview
---
name: diffdock
description: Diffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.
license: MIT license
metadata:
skill-author: K-Dense Inc.
---
# DiffDock: Molecular Docking with Diffusion Models
## Overview
DiffDock is a diffusion-based deep learning tool for molecular docking that predicts 3D binding poses of small molecule ligands to protein targets...
Full prompt length: 15427 characters
Tools & Technologies
- docker
- Docker
- python
- Python