zonca/openfold3-mcl1-expanse

OpenFold3 MCL1 protein-ligand ensemble (20 predictions) on SDSC Expanse V100 Ensemble of 20 AlphaFold3-equivalent structure predictions for the MCL1 protein–ligand complex (official OpenFold3 example, PDB 5FDR context), generated with OpenFold3 0.4.5 on a single NVIDIA V100 32 GB GPU on SDSC Expanse (gpu-shared partition). Data 20 predicted structures (PDB): predictions/seed_{42,1337,2024,2026}/mcl1_*_model.pdb 4 seeds × 5 diffusion samples = 20 independent… See the full description on the dataset page: https://huggingface.co/datasets/zonca/openfold3-mcl1-expanse.