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1471306
Polish the About section
Browse files- .streamlit/config.toml +1 -1
- app.py +10 -3
.streamlit/config.toml
CHANGED
@@ -312,7 +312,7 @@ maxUploadSize = 2
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# The preset Streamlit theme that your custom theme inherits from.
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# One of "light" or "dark".
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-
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# Primary accent color for interactive elements.
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# primaryColor =
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# The preset Streamlit theme that your custom theme inherits from.
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# One of "light" or "dark".
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base = "light"
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# Primary accent color for interactive elements.
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# primaryColor =
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app.py
CHANGED
@@ -5,12 +5,18 @@ from io import StringIO
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import joblib
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import numpy as np
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import pandas as pd
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# page set up
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import streamlit as st
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from b3clf.descriptor_padel import compute_descriptors
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from b3clf.geometry_opt import geometry_optimize
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from b3clf.utils import (
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# from PIL import Image
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from streamlit_extras.let_it_rain import rain
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from streamlit_ketcher import st_ketcher
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@@ -129,8 +135,9 @@ with info_column:
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# fmt: off
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st.markdown(
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"""
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`B3clf` is a Python package for predicting the blood-brain barrier (BBB) permeability of small molecules using imbalanced learning. It supports decision tree, XGBoost, kNN, logistical regression and 5 resampling strategies (SMOTE, Borderline SMOTE, k-means SMOTE and ADASYN). The workflow of `B3clf` is summarized as below. The Source code and more details are available at https://github.com/theochem/B3clf."""
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)
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# text_body = '''
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# `B3clf` is a Python package for predicting the blood-brain barrier (BBB) permeability of small molecules using imbalanced learning. It supports decision tree, XGBoost, kNN, logistical regression and 5 resampling strategies (SMOTE, Borderline SMOTE, k-means SMOTE and ADASYN). The workflow of `B3clf` is summarized as below. The Source code and more details are available at https://github.com/theochem/B3clf.
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# '''
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import joblib
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import numpy as np
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import pandas as pd
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# page set up
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import streamlit as st
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from b3clf.descriptor_padel import compute_descriptors
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from b3clf.geometry_opt import geometry_optimize
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from b3clf.utils import (
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get_descriptors,
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predict_permeability,
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scale_descriptors,
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select_descriptors,
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)
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# from PIL import Image
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from streamlit_extras.let_it_rain import rain
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from streamlit_ketcher import st_ketcher
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# fmt: off
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st.markdown(
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"""
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`B3clf` is a Python package for predicting the blood-brain barrier (BBB) permeability of small molecules using imbalanced learning. It supports decision tree, XGBoost, kNN, logistical regression and 5 resampling strategies (SMOTE, Borderline SMOTE, k-means SMOTE and ADASYN). The workflow of `B3clf` is summarized as below. The Source code and more details are available at https://github.com/theochem/B3clf. This project is supported by Digital Research Alliance of Canada (originally known as Compute Canada) and NSERC. This project is maintained by QC-Dev comminity. For further information and inquiries please contact us at [email protected]."""
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st.text(" \n")
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# text_body = '''
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# `B3clf` is a Python package for predicting the blood-brain barrier (BBB) permeability of small molecules using imbalanced learning. It supports decision tree, XGBoost, kNN, logistical regression and 5 resampling strategies (SMOTE, Borderline SMOTE, k-means SMOTE and ADASYN). The workflow of `B3clf` is summarized as below. The Source code and more details are available at https://github.com/theochem/B3clf.
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# '''
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