Gina El Nesr
commited on
Commit
·
bb867b2
1
Parent(s):
9e78969
hf auth
Browse files
app.py
CHANGED
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@@ -144,7 +144,7 @@ def handle_name(name=None, pdb_input=None, model_version="ESM3"):
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return f'{pdb_name}-Dyna1{"" if model_version == "ESM3" else "-ESM2"}'
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@spaces.GPU(duration=300)
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def predict_dynamics(sequence=None, pdb_input=None, chain_id='A', use_pdb_seq=False, model_version="ESM3", name=None):
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try:
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# Validate ESM2 requires sequence
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if model_version == "ESM2" and not sequence:
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@@ -365,15 +365,21 @@ with dyna1_app:
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outputs=[esm3_inputs, esm2_inputs, results_esm3, results_esm2, examples_esm3]
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)
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def predict_esm3(oauth_token: gr.OAuthToken | None,
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csv_output, pdb_output = predict_dynamics(
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sequence=sequence,
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pdb_input=pdb_id if pdb_id else pdb_file,
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chain_id=chain_id,
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use_pdb_seq=use_pdb_seq,
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model_version="ESM3",
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name=name
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)
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return [csv_output, pdb_output]
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@@ -390,7 +396,7 @@ with dyna1_app:
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submit_btn_esm3.click(
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fn=predict_esm3,
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inputs=[name_input, sequence_input_esm3, pdb_id, pdb_file, chain_id, use_pdb_seq],
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outputs=[csv_output_esm3, pdb_output_esm3]
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)
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return f'{pdb_name}-Dyna1{"" if model_version == "ESM3" else "-ESM2"}'
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@spaces.GPU(duration=300)
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+
def predict_dynamics(sequence=None, pdb_input=None, chain_id='A', use_pdb_seq=False, model_version="ESM3", name=None, oauth_token: Optional[str] = None):
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try:
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# Validate ESM2 requires sequence
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if model_version == "ESM2" and not sequence:
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outputs=[esm3_inputs, esm2_inputs, results_esm3, results_esm2, examples_esm3]
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)
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def predict_esm3(oauth_token: gr.OAuthToken | None, name, sequence, pdb_id, pdb_file, chain_id, use_pdb_seq):
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if oauth_token is None:
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raise gr.Error("Please log in to use this Space")
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token_value = oauth_token.token
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check_permissions(token_value)
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csv_output, pdb_output = predict_dynamics(
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sequence=sequence,
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pdb_input=pdb_id if pdb_id else pdb_file,
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chain_id=chain_id,
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use_pdb_seq=use_pdb_seq,
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model_version="ESM3",
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name=name,
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oauth_token=token_value
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)
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return [csv_output, pdb_output]
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submit_btn_esm3.click(
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fn=predict_esm3,
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inputs=[gr.OAuthToken(), name_input, sequence_input_esm3, pdb_id, pdb_file, chain_id, use_pdb_seq],
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outputs=[csv_output_esm3, pdb_output_esm3]
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)
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