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Models
:
Amanda-D
/
DeepDTA
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[8af014]
:
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deepdta-toy
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data
/
mytest
/ ligands.tab
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#
ChemicalID
SMILES
1
THK
OC1(CCN(CCCC2(SCCS2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
2
THA
Nc1c2CCCCc2nc2ccccc12