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