morph / geom /explicit_h /metadata.json
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Add GEOM-Drugs epoch 100 and QM9 epochs 1000 and 1500 with inference assets
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{
"dataset": "geom",
"variant": "explicit_h",
"includes_explicit_hydrogens": true,
"source_max_total_atoms_including_h": 72,
"training_run": "geom-explicit-e48-resume-16520626",
"resumed_from_completed_epoch": 48,
"source_snapshot": "geom_resume_e48_20261008",
"checkpoint_format": "Original Lightning checkpoint, current + EMA + optimizer state",
"epoch_numbering": "Completed epochs (one-based); original checkpoint epoch is zero-based",
"checkpoints": [
{
"filename": "epoch_050.ckpt",
"original_filename": "epoch=49-step=441050.ckpt",
"completed_epochs": 50,
"checkpoint_epoch_index": 49,
"global_step": 441050,
"bytes": 509181385,
"sha256": "016c4a5bbb4f5ef36d1d62dff772ecf8d384e8ab3e2c94ebeb4c4357183f690a"
},
{
"filename": "epoch_100.ckpt",
"original_filename": "epoch=99-step=882100.ckpt",
"completed_epochs": 100,
"checkpoint_epoch_index": 99,
"global_step": 882100,
"bytes": 509181449,
"sha256": "0ab5ad7247b5518858c8cb6aa7c4102352e8fe09cbb6744c33a4c784c85b8587"
}
],
"atom_tokens": [
"Br",
"C",
"Cl",
"F",
"H",
"I",
"N",
"O",
"P",
"S"
],
"edge_tokens": [
"<NO_BOND>",
"1",
"2",
"3"
],
"charge_tokens": [
"-2",
"-1",
"0",
"1",
"2"
],
"coordinate_std_angstrom": 2.4406259059906006
}