Update app.py
Browse files
app.py
CHANGED
@@ -582,9 +582,9 @@ with tab1:
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st.text_area("", res1.get('fasta_log', 'No data'), height=200, key="fasta_info_area")
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with p1_tabs[1]:
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st.subheader("Drug-Likeness Assessment (Lipinski's Rule of Five)")
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st.dataframe(res1.get('lipinski_subset_df', pd.DataFrame()), use_container_width=True)
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st.subheader("Calculated Molecular Properties")
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st.dataframe(res1.get('props_df', pd.DataFrame()), use_container_width=True)
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with p1_tabs[2]:
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st.subheader("Molecular Properties Dashboard")
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if res1.get('props_plot'):
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@@ -640,10 +640,10 @@ with tab2:
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col1, col2 = st.columns(2)
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with col1:
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st.subheader("Virtual Screening Results (Simulated)")
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st.dataframe(res2.get('screening_df', pd.DataFrame()), use_container_width=True)
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with col2:
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st.subheader("ADMET Properties Prediction")
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st.dataframe(res2.get('admet_df', pd.DataFrame()), use_container_width=True)
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with p2_tabs[1]:
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st.subheader("Interactive 2D and 3D views of candidate molecules.")
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if res2.get('combined_viz_html'):
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@@ -692,9 +692,9 @@ with tab3:
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st.subheader("Comprehensive Molecular Properties & AI-Powered Toxicity Prediction (Simulated)")
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col1, col2 = st.columns(2)
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with col1:
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st.dataframe(res3.get('comp_props_df', pd.DataFrame()), use_container_width=True)
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with col2:
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st.dataframe(res3.get('tox_df', pd.DataFrame()), use_container_width=True)
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with p3_tabs[1]:
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st.subheader("Interactive 3D gallery of the compounds under analysis.")
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if res3.get('combined_viz_html'):
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@@ -739,14 +739,13 @@ with tab4:
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st.subheader("Simulated Adverse Event Analysis")
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if res4.get('plot_bar'):
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st.pyplot(res4['plot_bar'])
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st.dataframe(res4
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with p4_tabs[1]:
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col1, col2 = st.columns(2)
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with col1:
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st.subheader("AI/ML Documentation Summary for Submission")
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st.dataframe(res4.get('reg_df', pd.DataFrame()), use_container_width=True)
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with col2:
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st.subheader("Ethical Framework for AI in Healthcare")
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st.dataframe(res4.get('eth_df', pd.DataFrame()), use_container_width=True)
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st.text_area("", res1.get('fasta_log', 'No data'), height=200, key="fasta_info_area")
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with p1_tabs[1]:
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st.subheader("Drug-Likeness Assessment (Lipinski's Rule of Five)")
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st.dataframe(res1.get('lipinski_subset_df', pd.DataFrame()), use_container_width=True, hide_index=True)
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st.subheader("Calculated Molecular Properties")
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st.dataframe(res1.get('props_df', pd.DataFrame()), use_container_width=True, hide_index=True)
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with p1_tabs[2]:
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st.subheader("Molecular Properties Dashboard")
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if res1.get('props_plot'):
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col1, col2 = st.columns(2)
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with col1:
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st.subheader("Virtual Screening Results (Simulated)")
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st.dataframe(res2.get('screening_df', pd.DataFrame()), use_container_width=True, hide_index=True)
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with col2:
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st.subheader("ADMET Properties Prediction")
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st.dataframe(res2.get('admet_df', pd.DataFrame()), use_container_width=True, hide_index=True)
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with p2_tabs[1]:
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st.subheader("Interactive 2D and 3D views of candidate molecules.")
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if res2.get('combined_viz_html'):
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st.subheader("Comprehensive Molecular Properties & AI-Powered Toxicity Prediction (Simulated)")
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col1, col2 = st.columns(2)
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with col1:
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st.dataframe(res3.get('comp_props_df', pd.DataFrame()), use_container_width=True, hide_index=True)
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with col2:
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st.dataframe(res3.get('tox_df', pd.DataFrame()), use_container_width=True, hide_index=True)
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with p3_tabs[1]:
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st.subheader("Interactive 3D gallery of the compounds under analysis.")
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if res3.get('combined_viz_html'):
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st.subheader("Simulated Adverse Event Analysis")
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if res4.get('plot_bar'):
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st.pyplot(res4['plot_bar'])
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st.dataframe(res4.get('rwd_df', pd.DataFrame()), use_container_width=True, hide_index=True)
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with p4_tabs[1]:
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col1, col2 = st.columns(2)
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with col1:
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st.subheader("AI/ML Documentation Summary for Submission")
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st.dataframe(res4.get('reg_df', pd.DataFrame()), use_container_width=True, hide_index=True)
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with col2:
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st.subheader("Ethical Framework for AI in Healthcare")
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st.dataframe(res4.get('eth_df', pd.DataFrame()), use_container_width=True, hide_index=True)
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