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{
  "dataset": "ChEMBL3D",
  "variant": "implicit_h",
  "includes_explicit_hydrogens": false,
  "source_max_total_atoms_including_h": 100,
  "training_run": "chembl3d-implicit-2x4090-15416351",
  "source_snapshot": "chembl3d_implicit_20260928_v2",
  "checkpoint_format": "Original Lightning checkpoint, current + EMA + optimizer state",
  "epoch_numbering": "Completed epochs (one-based); original checkpoint epoch is zero-based",
  "split_molecules": {
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    "val": 184295,
    "test": 184242
  },
  "checkpoints": [
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      "filename": "epoch_100.ckpt",
      "original_filename": "epoch=99-step=230300.ckpt",
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      "checkpoint_epoch_index": 99,
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  "coordinate_std_angstrom": 2.5063276290893555,
  "atom_tokens": [
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    "Br",
    "C",
    "Cl",
    "F",
    "I",
    "N",
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    "P",
    "S",
    "Se",
    "Si"
  ],
  "edge_tokens": [
    "<NO_BOND>",
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  ],
  "charge_tokens": [
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  ]
}