{ "entry": "1b8d_K", "n_frames": 3003, "n_ca": 164, "n_replicates": 3, "rep_names": [ "R1", "R2", "R3" ], "traj_lengths": [ 1001, 1001, 1001 ], "xtc_files": [ "1b8d_K_R1.xtc", "1b8d_K_R2.xtc", "1b8d_K_R3.xtc" ], "pca_dim": 50, "tica_dim": 3, "tica_evals": [ 0.9875355958938599, 0.9846833348274231, 0.9682591557502747 ], "lag": 10, "sigma_k": 30, "top_k": 64, "contact_cutoff_A": 12.0, "min_seq_sep": 3, "max_pairs": 20000, "n_ca_pairs_used": 1776, "feature": "CA_pairwise_distances", "affinity": "exp(-||q_i-q_j||^2/(sigma_i*sigma_j))", "note": "Minimal training cache. Only q, top-k neighbors, top-k weights, and meta are saved.", "dtype_q": "float32", "dtype_topk_neighbors": "uint16", "dtype_topk_weights": "float16" }