Bundled data

April 18, 2026 · View on GitHub

File	Purpose
`inference_config.yaml`	Default inference YAML (`prompt` + `sampling` + `output`); copy to edit.
`zinc_minimal.csv`	Two-row ZINC-style fragment CSV (`fragments`, `distance_angstrom`, `angle_degrees`) for a quick run.

From the repository root (next to pyproject.toml):

python linkllama/llm/inference.py \
  --config data/inference_config.yaml \
  --csv data/zinc_minimal.csv \
  --num_samples 2

Outputs follow output.output_dir / output_suffix in the YAML (default under ./inference_outputs/). See Inference guide for full options.