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feat: Add 176K real DrugBank DDI samples with drug names

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- Downloaded 191K DDI pairs from TDC DrugBank
- Fetched 1,634 drug names from PubChem API (96% hit rate)
- Created complete training dataset with:
  - Real drug names (not just IDs)
  - 86 interaction type descriptions
  - Severity labels (minor/moderate/major/contraindicated)
- Bundled 34MB data file in Docker image
- Handler loads real data instead of curated samples
This commit is contained in:
Greg Hendrickson
2026-02-03 04:34:54 +00:00
parent 39922e8d2e
commit 67a1095100
4 changed files with 176245 additions and 153 deletions
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components/runpod_trainer/data/drugbank_ddi_complete.jsonl Normal file
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{
"1": "#Drug1 may increase the photosensitizing activities of #Drug2.",
"2": "#Drug1 may increase the anticholinergic activities of #Drug2.",
"3": "The bioavailability of #Drug2 can be decreased when combined with #Drug1.",
"4": "The metabolism of #Drug2 can be increased when combined with #Drug1.",
"5": "#Drug1 may decrease the vasoconstricting activities of #Drug2.",
"6": "#Drug1 may increase the anticoagulant activities of #Drug2.",
"7": "#Drug1 may increase the ototoxic activities of #Drug2.",
"8": "The therapeutic efficacy of #Drug2 can be increased when used in combination with #Drug1.",
"9": "#Drug1 may increase the hypoglycemic activities of #Drug2.",
"10": "#Drug1 may increase the antihypertensive activities of #Drug2.",
"11": "The serum concentration of the active metabolites of #Drug2 can be reduced when #Drug2 is used in combination with #Drug1 resulting in a loss in efficacy.",
"12": "#Drug1 may decrease the anticoagulant activities of #Drug2.",
"13": "The absorption of #Drug2 can be decreased when combined with #Drug1.",
"14": "#Drug1 may decrease the bronchodilatory activities of #Drug2.",
"15": "#Drug1 may increase the cardiotoxic activities of #Drug2.",
"16": "#Drug1 may increase the central nervous system depressant (CNS depressant) activities of #Drug2.",
"17": "#Drug1 may decrease the neuromuscular blocking activities of #Drug2.",
"18": "#Drug1 can cause an increase in the absorption of #Drug2 resulting in an increased serum concentration and potentially a worsening of adverse effects.",
"19": "#Drug1 may increase the vasoconstricting activities of #Drug2.",
"20": "#Drug1 may increase the QTc-prolonging activities of #Drug2.",
"21": "#Drug1 may increase the neuromuscular blocking activities of #Drug2.",
"22": "#Drug1 may increase the adverse neuromuscular activities of #Drug2.",
"23": "#Drug1 may increase the stimulatory activities of #Drug2.",
"24": "#Drug1 may increase the hypocalcemic activities of #Drug2.",
"25": "#Drug1 may increase the atrioventricular blocking (AV block) activities of #Drug2.",
"26": "#Drug1 may decrease the antiplatelet activities of #Drug2.",
"27": "#Drug1 may increase the neuroexcitatory activities of #Drug2.",
"28": "#Drug1 may increase the dermatologic adverse activities of #Drug2.",
"29": "#Drug1 may decrease the diuretic activities of #Drug2.",
"30": "#Drug1 may increase the orthostatic hypotensive activities of #Drug2.",
"31": "The risk or severity of hypertension can be increased when #Drug2 is combined with #Drug1.",
"32": "#Drug1 may increase the sedative activities of #Drug2.",
"33": "The risk or severity of QTc prolongation can be increased when #Drug1 is combined with #Drug2.",
"34": "#Drug1 may increase the immunosuppressive activities of #Drug2.",
"35": "#Drug1 may increase the neurotoxic activities of #Drug2.",
"36": "#Drug1 may increase the antipsychotic activities of #Drug2.",
"37": "#Drug1 may decrease the antihypertensive activities of #Drug2.",
"38": "#Drug1 may increase the vasodilatory activities of #Drug2.",
"39": "#Drug1 may increase the constipating activities of #Drug2.",
"40": "#Drug1 may increase the respiratory depressant activities of #Drug2.",
"41": "#Drug1 may increase the hypotensive and central nervous system depressant (CNS depressant) activities of #Drug2.",
"42": "The risk or severity of hyperkalemia can be increased when #Drug1 is combined with #Drug2.",
"43": "The protein binding of #Drug2 can be decreased when combined with #Drug1.",
"44": "#Drug1 may increase the central neurotoxic activities of #Drug2.",
"45": "#Drug1 may decrease effectiveness of #Drug2 as a diagnostic agent.",
"46": "#Drug1 may increase the bronchoconstrictory activities of #Drug2.",
"47": "The metabolism of #Drug2 can be decreased when combined with #Drug1.",
"48": "#Drug1 may increase the myopathic rhabdomyolysis activities of #Drug2.",
"49": "The risk or severity of adverse effects can be increased when #Drug1 is combined with #Drug2.",
"50": "The risk or severity of heart failure can be increased when #Drug2 is combined with #Drug1.",
"51": "#Drug1 may increase the hypercalcemic activities of #Drug2.",
"52": "#Drug1 may decrease the analgesic activities of #Drug2.",
"53": "#Drug1 may increase the antiplatelet activities of #Drug2.",
"54": "#Drug1 may increase the bradycardic activities of #Drug2.",
"55": "#Drug1 may increase the hyponatremic activities of #Drug2.",
"56": "The risk or severity of hypotension can be increased when #Drug1 is combined with #Drug2.",
"57": "#Drug1 may increase the nephrotoxic activities of #Drug2.",
"58": "#Drug1 may decrease the cardiotoxic activities of #Drug2.",
"59": "#Drug1 may increase the ulcerogenic activities of #Drug2.",
"60": "#Drug1 may increase the hypotensive activities of #Drug2.",
"61": "#Drug1 may decrease the stimulatory activities of #Drug2.",
"62": "The bioavailability of #Drug2 can be increased when combined with #Drug1.",
"63": "#Drug1 may increase the myelosuppressive activities of #Drug2.",
"64": "#Drug1 may increase the serotonergic activities of #Drug2.",
"65": "#Drug1 may increase the excretion rate of #Drug2 which could result in a lower serum level and potentially a reduction in efficacy.",
"66": "The risk or severity of bleeding can be increased when #Drug1 is combined with #Drug2.",
"67": "#Drug1 can cause a decrease in the absorption of #Drug2 resulting in a reduced serum concentration and potentially a decrease in efficacy.",
"68": "#Drug1 may increase the hyperkalemic activities of #Drug2.",
"69": "#Drug1 may increase the analgesic activities of #Drug2.",
"70": "The therapeutic efficacy of #Drug2 can be decreased when used in combination with #Drug1.",
"71": "#Drug1 may increase the hypertensive activities of #Drug2.",
"72": "#Drug1 may decrease the excretion rate of #Drug2 which could result in a higher serum level.",
"73": "The serum concentration of #Drug2 can be increased when it is combined with #Drug1.",
"74": "#Drug1 may increase the fluid retaining activities of #Drug2.",
"75": "The serum concentration of #Drug2 can be decreased when it is combined with #Drug1.",
"76": "#Drug1 may decrease the sedative activities of #Drug2.",
"77": "The serum concentration of the active metabolites of #Drug2 can be increased when #Drug2 is used in combination with #Drug1.",
"78": "#Drug1 may increase the hyperglycemic activities of #Drug2.",
"79": "#Drug1 may increase the central nervous system depressant (CNS depressant) and hypertensive activities of #Drug2.",
"80": "#Drug1 may increase the hepatotoxic activities of #Drug2.",
"81": "#Drug1 may increase the thrombogenic activities of #Drug2.",
"82": "#Drug1 may increase the arrhythmogenic activities of #Drug2.",
"83": "#Drug1 may increase the hypokalemic activities of #Drug2.",
"84": "#Drug1 may increase the vasopressor activities of #Drug2.",
"85": "#Drug1 may increase the tachycardic activities of #Drug2.",
"86": "The risk of a hypersensitivity reaction to #Drug2 is increased when it is combined with #Drug1."
}