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library_name: pytorch
pipeline_tag: other
tags:
- flow-matching
- structure-based-drug-design
- molecular-generation
- pytorch
---
# LandFlow checkpoints
This repository stores the frozen PAFlow base checkpoint, its atom-number
predictor, and the LandFlow route-potential checkpoint used in the main
CrossDocked2020 experiment.
The LandFlow potential is a pairwise scalar model with 115,842 parameters. It
predicts a trajectory-derived future-quality cost and supplies a normalized
negative coordinate gradient during sampling. The PAFlow parameters remain
frozen.
Use these files with the matching GitHub release. SHA-256 checksums are listed
in `artifacts.json` in that repository.
This model is for research use in molecular generation. Generated structures
must not be interpreted as experimentally validated binders or medical advice.
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