| limit_failures: 5 | |
| num_steps: 20 | |
| sigma_min: 1e-2 | |
| sigma_max: 10 | |
| rho: 7 | |
| S_noise: 1.01 | |
| eta: 1.5 | |
| num_workers: 1 | |
| samples_per_complex: 40 | |
| chain_cutoff: 10 | |
| protein_file: protein | |
| ligand_file: ligands | |
| split_path: datasets/data/splits/posebusters_benchmark_set_ids.txt | |
| subset_split_path: datasets/data/splits/posebusters_pdb_ccd_ids.txt | |
| esm_embeddings_path: data/posebusters_ESM.pt | |
| cache_path: data/cache_posebuster | |
| dataset: posebusters | |