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1 Parent(s): 8bb604c

Update app.py

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  1. app.py +3 -1
app.py CHANGED
@@ -982,7 +982,9 @@ def ProteinAgent(task, protein, up_id, chembl_id, pdb_id, smiles):
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  a UNIPROT ID it can find Chembl IDs that match. It can find numbers of and lists of bioactive molecules
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  based on a Chembl ID. It can query the protein databank to find PDB IDs matching a protein name and return
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  the IDs and titles. It can find a particular PDB ID and report information such as how many chains it contains,
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- the sequence, and any small molecules or ligands bound in the structure.
 
 
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  Args:
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  task: the task to carry out
 
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  a UNIPROT ID it can find Chembl IDs that match. It can find numbers of and lists of bioactive molecules
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  based on a Chembl ID. It can query the protein databank to find PDB IDs matching a protein name and return
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  the IDs and titles. It can find a particular PDB ID and report information such as how many chains it contains,
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+ the sequence, and any small molecules or ligands bound in the structure. It can predict the IC50 value of a molecule
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+ based on a Chembl dataset using the LightGBM model. It can generate novel molecules using a finetuned GPT based on
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+ a Chembl dataset.
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  Args:
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  task: the task to carry out