Spaces:
Running
Running
jannisborn
commited on
update
Browse files- app.py +5 -5
- requirements.txt +4 -3
- submission.py +1 -1
app.py
CHANGED
@@ -26,10 +26,9 @@ site_mapper = {
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def run_inference(
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smiles: Optional[str],
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smiles_path: Optional[str],
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-
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confidence: bool,
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):
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-
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# Read SMILES
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if smiles is None and smiles_path is None:
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raise TypeError("Pass either single SMILES or a file")
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@@ -43,8 +42,10 @@ def run_inference(
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raise ValueError(f"Found invalid SMILES {smi}")
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# Read omics and otherwise load baseline
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-
if
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-
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# ToDo: Add progress bar for multiple smiles
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results = {}
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@@ -106,7 +107,6 @@ def run_inference(
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if __name__ == "__main__":
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-
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# Load metadata
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metadata_root = pathlib.Path(__file__).parent.joinpath("model_cards")
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def run_inference(
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smiles: Optional[str],
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smiles_path: Optional[str],
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+
omic: Optional[str],
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confidence: bool,
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):
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# Read SMILES
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if smiles is None and smiles_path is None:
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raise TypeError("Pass either single SMILES or a file")
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raise ValueError(f"Found invalid SMILES {smi}")
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# Read omics and otherwise load baseline
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+
if omic is not None:
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omic_path = omic.name
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else:
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omic_path = None
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# ToDo: Add progress bar for multiple smiles
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results = {}
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if __name__ == "__main__":
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# Load metadata
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metadata_root = pathlib.Path(__file__).parent.joinpath("model_cards")
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requirements.txt
CHANGED
@@ -10,11 +10,12 @@ numpy>=1.14.3
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scikit-learn==0.21.3
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pandas==0.24.1
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torch>=1.3.0
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-
matplotlib
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-
seaborn
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boto3==1.11.16
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boto3_type_annotations==0.3.1
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gunicorn==20.0.4
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regex==2020.1.8
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bokeh==1.4.0
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-
importlib_resources
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scikit-learn==0.21.3
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pandas==0.24.1
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torch>=1.3.0
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+
matplotlib==3.3.4
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+
seaborn==0.11.2
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boto3==1.11.16
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boto3_type_annotations==0.3.1
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gunicorn==20.0.4
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regex==2020.1.8
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bokeh==1.4.0
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+
importlib_resources
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+
urllib3==1.25.11
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submission.py
CHANGED
@@ -37,7 +37,7 @@ def submission(
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task_id (str): task identifier.
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estimate_confidence (bool, optional): estimate confidence of the
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prediction. Defaults to False.
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-
omics_file (Optional[str], optional):
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expression data. Defaults to None.
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"""
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prefix = os.path.join(RESULTS_PREFIX, workspace_id, task_id)
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task_id (str): task identifier.
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estimate_confidence (bool, optional): estimate confidence of the
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prediction. Defaults to False.
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+
omics_file (Optional[str], optional): path to file containing
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expression data. Defaults to None.
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"""
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prefix = os.path.join(RESULTS_PREFIX, workspace_id, task_id)
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