| 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. | |