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saicharan2804
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09e358a
1
Parent(s):
14e9aa8
Add my evaluation metrics for molecular generation
Browse files- README.md +5 -0
- app.py +6 -0
- my_metric.py +11 -0
README.md
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@@ -7,6 +7,11 @@ sdk: gradio
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sdk_version: 4.19.1
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app_file: app.py
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pinned: false
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---
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Check out the configuration reference at https://huggingface.co/docs/hub/spaces-config-reference
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sdk_version: 4.19.1
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app_file: app.py
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pinned: false
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tags:
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- evaluate
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- metric
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description: >-
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Moses and PyTDC metrics
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---
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Check out the configuration reference at https://huggingface.co/docs/hub/spaces-config-reference
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app.py
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import evaluate
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from evaluate.utils import launch_gradio_widget
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module = evaluate.load("saicharan2804/my_metric")
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launch_gradio_widget(module)
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my_metric.py
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import moses
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from moses import metrics
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import pandas as pd
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def _compute(self, list_of_generated_smiles):
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test_set = moses.get_dataset('test')
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preprocessed_smiles = [smile for smile in list_of_generated_smiles if moses.utils.canonicalize_smiles(smile)]
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results = metrics.get_all_metrics(preprocessed_smiles, test_set)
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return results
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