Rename Boltz utility commands#6
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Summary
boltz-affinityboltz-dockSpeed notes
boltz-affinityskips Boltz diffusion and is the fast path for already-built poses.boltz-dockstill runs Boltz diffusion; it constrains the receptor/pocket but should not be presented as a scoring-fast path.boltz-dock.boltz-affinityscore of an existing Boltz CIF took 63s; batch scoring is expected to benefit from avoiding diffusion and from--reuse_trunkfor same-topology poses.Tests
UV_CACHE_DIR=/private/tmp/uv-cache-abcfold uv run --extra test python -m pytest tests/test_boltz_entrypoints.py tests/test_boltz_dock_crystal.py -qUV_CACHE_DIR=/private/tmp/uv-cache-abcfold uv run --reinstall-package abcfold boltz-affinity --helpUV_CACHE_DIR=/private/tmp/uv-cache-abcfold uv run boltz-dock --help