metadata
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.