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README.md

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+---
+pretty_name: LandFlow trajectory supervision
+task_categories:
+  - other
+tags:
+  - molecular-generation
+  - structure-based-drug-design
+  - trajectories
+---
+
+# LandFlow trajectory supervision
+
+This repository contains the 3,000-trajectory bank used to train the LandFlow
+route potential, the fixed CrossDocked split, atom-number metadata, reference
+metric cache, and the PAFlow-ready CrossDocked pocket data required by the
+reproduction workflow.
+
+The bank contains 50 recorded states per trajectory (150,000 supervised state
+examples). It was built from 100 training pockets using three frozen PAFlow
+sampling settings and does not contain the paper test pockets as training
+trajectories.
+
+The CrossDocked portion contains the processed LMDB used directly by PAFlow,
+the 93-pocket test receptor set, and the compressed pocket10 source files used
+to regenerate processed data. The source archive expands to about 15 GB and is
+kept compressed because it contains roughly 389,000 small files.
+
+CrossDocked2020 is redistributed under the CC0 1.0 Universal Public Domain
+Dedication. See `data/CrossDocked2020_LICENSE.txt` and the original distribution
+at https://bits.csb.pitt.edu/files/crossdock2020/.
+
+Use the matching LandFlow GitHub release to download and extract the data:
+
+```bash
+python scripts/download_artifacts.py --include-crossdocked --extract-test-set
+python scripts/verify_install.py --require-crossdocked
+```