atlas_affinity_cache_min/1dd3_B/meta.json

{
  "entry": "1dd3_B",
  "n_frames": 3003,
  "n_ca": 128,
  "n_replicates": 3,
  "rep_names": [
    "R1",
    "R2",
    "R3"
  ],
  "traj_lengths": [
    1001,
    1001,
    1001
  ],
  "xtc_files": [
    "1dd3_B_R1.xtc",
    "1dd3_B_R2.xtc",
    "1dd3_B_R3.xtc"
  ],
  "pca_dim": 50,
  "tica_dim": 3,
  "tica_evals": [
    0.9799701571464539,
    0.9575657844543457,
    0.9394562244415283
  ],
  "lag": 10,
  "sigma_k": 30,
  "top_k": 64,
  "contact_cutoff_A": 12.0,
  "min_seq_sep": 3,
  "max_pairs": 20000,
  "n_ca_pairs_used": 1278,
  "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"
}