legend1234 commited on
Commit
f67712d
1 Parent(s): 1471306

Polish the About section

Browse files
Files changed (2) hide show
  1. .streamlit/config.toml +1 -1
  2. 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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- # base =
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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 =
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 (get_descriptors, predict_permeability,
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- scale_descriptors, select_descriptors)
 
 
 
 
 
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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
@@ -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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+
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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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+
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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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  )
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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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  # '''