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https://github.com/RYDE-WORK/lnp_ml.git
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57 lines
1.5 KiB
JSON
57 lines
1.5 KiB
JSON
{
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"items": [
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{
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"smiles": "CC(C)NCCNC(C)C",
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"cationic_lipid_to_mrna_ratio": 10.0,
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"cationic_lipid_mol_ratio": 35.0,
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"phospholipid_mol_ratio": 16.0,
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"cholesterol_mol_ratio": 46.5,
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"peg_lipid_mol_ratio": 2.5,
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"helper_lipid": "DOPE",
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"route": "intravenous"
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},
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{
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"smiles": "CCCCCCCCCCCCCCCCN",
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"cationic_lipid_to_mrna_ratio": 12.0,
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"cationic_lipid_mol_ratio": 40.0,
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"phospholipid_mol_ratio": 15.0,
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"cholesterol_mol_ratio": 42.5,
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"peg_lipid_mol_ratio": 2.5,
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"helper_lipid": "DSPC",
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"route": "intramuscular"
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},
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{
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"smiles": "this-is-not-smiles",
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"cationic_lipid_to_mrna_ratio": 10.0,
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"cationic_lipid_mol_ratio": 35.0,
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"phospholipid_mol_ratio": 16.0,
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"cholesterol_mol_ratio": 46.5,
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"peg_lipid_mol_ratio": 2.5,
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"helper_lipid": "DOPE",
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"route": "intravenous"
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},
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{
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"smiles": "CCN(CC)CC",
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"cationic_lipid_to_mrna_ratio": 10.0,
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"cationic_lipid_mol_ratio": 35.0,
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"phospholipid_mol_ratio": 16.0,
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"cholesterol_mol_ratio": 30.0,
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"peg_lipid_mol_ratio": 2.5,
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"helper_lipid": "DOPE",
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"route": "intravenous"
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},
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{
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"smiles": "C1CCN(CC1)CCO",
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"cationic_lipid_to_mrna_ratio": 10.0,
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"cationic_lipid_mol_ratio": 35.0,
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"phospholipid_mol_ratio": 16.0,
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"cholesterol_mol_ratio": 46.5,
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"peg_lipid_mol_ratio": 2.5,
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"helper_lipid": "INVALID_HELPER",
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"route": "intravenous"
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}
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],
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"batch_size": 5,
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"use_llm": false
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}
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