Name	Name	Last commit message	Last commit date
parent directory ..
assets	assets
references	references
scripts	scripts
README.md	README.md
SKILL.md	SKILL.md

Name

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diffdock

Diffusion-based molecular docking.

Setup

cd diffdock
python3 -m venv .venv && source .venv/bin/activate && pip install esm pandas rdkit torch -q

None.

python3 scripts/analyze_results.py --help