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Running
on
Zero
Running
on
Zero
Update app.py
Browse files
app.py
CHANGED
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@@ -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
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