cafierom commited on
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1 Parent(s): a1dbbf2

Update app.py

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  1. app.py +19 -0
app.py CHANGED
@@ -977,6 +977,25 @@ graph = builder.compile()
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  @spaces.GPU
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  def ProteinAgent(task, protein, up_id, chembl_id, pdb_id, smiles):
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  input = {
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  "messages": [
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  HumanMessage(f'query_task: {task}, query_protein: {protein}, query_up_id: {up_id}, query_chembl: {chembl_id}, query_pdb: {pdb_id}, query_smiles: {smiles}')
 
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  @spaces.GPU
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  def ProteinAgent(task, protein, up_id, chembl_id, pdb_id, smiles):
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+ '''
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+ This Agent can perform several protein-related tasks. It can find UNIPROT IDs for a protein, or, given
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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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+
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+ Args:
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+ task: the task to carry out
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+ protein: a protein name
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+ up_id: a UNIPROT ID
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+ chembl_id: a chembl ID
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+ pdb_id: a PDB ID
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+ smiles: a SMILES string for a molecule.
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+
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+ Returns:
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+ replies[-1]: a text string containing the information requested
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+ img: an image if appropriate, otherwise a blank image.
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+ '''
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  input = {
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  "messages": [
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  HumanMessage(f'query_task: {task}, query_protein: {protein}, query_up_id: {up_id}, query_chembl: {chembl_id}, query_pdb: {pdb_id}, query_smiles: {smiles}')