ligdis commited on
Commit
facc5bb
·
verified ·
1 Parent(s): 879800a

Update app.py

Browse files
Files changed (1) hide show
  1. app.py +30 -26
app.py CHANGED
@@ -3,7 +3,7 @@ import streamlit as st
3
  st.set_page_config(
4
  page_title="Ligand Discovery",
5
  page_icon=":home:",
6
- layout="centered", # "wide"
7
  initial_sidebar_state="collapsed"
8
  )
9
 
@@ -25,22 +25,21 @@ hide_streamlit_style = """
25
  st.markdown(hide_streamlit_style, unsafe_allow_html=True)
26
 
27
  st.title('Welcome to Ligand Discovery!')
28
- # cols = st.columns([0.5, 0.5])
29
- # col = cols[0]
30
- # col.markdown(
31
  st.markdown(
32
  '''
33
  This portal enables exploration of a large scale fragment-based chemoproteomics screening data.
34
 
35
- - Explore below **5** web apps that we deployed in a cloud server (click _Restart this Space_ if app goes to sleep) or
36
- - Run apps locally by forking the code from [GitHub](https://github.com/ligand-discovery)
37
- - Or download [Screening](https://ligand-discovery.ai/) data and [Fingerprinting](https://ligand-discovery.ai/) data for your own research
 
 
38
 
39
  1. :dart: [**Interactions**](https://1.ligand-discovery.ai) Explore the interactions between ligands and proteins. This is the main navigator to the chemoproteomics data, containing profiles for 407 fragments. The app also showcases competition assays for a few selected fragments
40
- 2. :mag: [**Explore protein sets**](https://protein-set.ligand-discovery.ai) With this tool, you can in put a set of proteins and see how many fragments interact with them according to our chemoproteomics data. We categorize proteins by their promiscuity/specificity levels to easily detect reported effect such as labeling bias
41
- 3. :mountain: [**Protein set enrichment analysis**](https://enrich.ligand-discovery.ai/) Explore fragment profiles from an enrichment perspective. We capture protein annotations of multiple scopes, from domains and families to molecular functions and cellular localization. We offer global and detailed views for each fragment
42
- 4. :robot_face: [**Fragment predictor**](https://fpred.ligand-discovery.ai/) Predict whether your fully-functionalized fragment of interest is likely to be promiscuous or associated with a specific interactome signature. We have predefined 10 interactome signatures capturing high-level biological processes that emerged from our chemoproteomics data
43
- 5. :rocket: [**On-the-fly modeling**](https://onthefly.ligand-discovery.ai/) Build a machine learning model on the fly to predict potential interactions between your fully-functionalized fragments and proteins of interest. Sets of proteins are accepted and organized in coherent subsets to maximize the chance of obtaining a good model
44
 
45
  This project was led by [Georg Winter](https://www.winter-lab.com/)'s group at [CeMM](https://cemm.at)
46
 
@@ -49,8 +48,6 @@ Cite: [Offensperger et al., Science (2024)](https://doi.org/10.1126/science.adk5
49
  '''
50
  )
51
 
52
- # cols[1].image("1.jpg")
53
-
54
  st.divider()
55
 
56
  st.subheader("Frequently Asked Questions")
@@ -109,18 +106,25 @@ st.markdown(
109
 
110
  Three Type 1 (Global) Models and nine Type 2 (Specific) Models were used. Area Under Receiver Operating Characteristic (AUROC) of > 0.75 is considered a :blue[good model].
111
 
112
- 1. **Prom-0** with 100+ proteins. This model has AUROC of :blue[0.837]
113
- 2. **Prom-1** with 200+ proteins. This model has AUROC of :blue[0.800]
114
- 3. **Prom-1** with 300+ proteins. This model has AUROC of :red[0.713]
115
- 4. **Prom-0-0** with 5+ proteins and less than 4 fragments. This model has AUROC of :blue[0.818]
116
- 5. **Prom-0-1** with 10+ proteins and greater than 4 but less than 40 fragments. This model has AUROC of :blue[0.809]
117
- 6. **Prom-0-2** with 50+ proteins and greater than 40 fragments. This model has AUROC of :blue[0.857]
118
- 7. **Prom-1-0** with 10+ proteins and less than 4 fragments. This model has AUROC of :blue[0.771]
119
- 8. **Prom-1-1** with 15+ proteins and greater than 4 but less than 40 fragments. This model has AUROC of :blue[0.855]
120
- 9. **Prom-1-2** with 100+ proteins and greater than 40 fragments. This model has AUROC of :blue[0.858]
121
- 10. **Prom-2-0** with 50+ proteins and less than 4 fragments. This model has AUROC of :blue[0.771]
122
- 11. **Prom-2-1** with 100+ proteins and greater than 4 but less than 40 fragments. This model has AUROC of :red[0.743]
123
- 12. **Prom-2-2** with 200+ proteins and greater than 40 fragments. This model has AUROC of :blue[0.814]
 
 
 
 
 
 
124
 
125
  '''
126
- )
 
 
3
  st.set_page_config(
4
  page_title="Ligand Discovery",
5
  page_icon=":home:",
6
+ layout="centered", # "centered",
7
  initial_sidebar_state="collapsed"
8
  )
9
 
 
25
  st.markdown(hide_streamlit_style, unsafe_allow_html=True)
26
 
27
  st.title('Welcome to Ligand Discovery!')
 
 
 
28
  st.markdown(
29
  '''
30
  This portal enables exploration of a large scale fragment-based chemoproteomics screening data.
31
 
32
+ - Explore below **5** web apps that we deployed in a cloud server (or)
33
+ - Run apps locally by forking the code from [GitHub](https://github.com/ligand-discovery) (or)
34
+ - Download [Screening](https://github.com/ligand-discovery/landing-page/raw/refs/heads/main/assets/screeningData.tar.xz) data and [Competition](https://github.com/ligand-discovery/landing-page/raw/refs/heads/main/assets/competitionData.tar.xz) data for your own research
35
+
36
+ :warning: server will sleep if inactive, then click _Restart this Space_ button
37
 
38
  1. :dart: [**Interactions**](https://1.ligand-discovery.ai) Explore the interactions between ligands and proteins. This is the main navigator to the chemoproteomics data, containing profiles for 407 fragments. The app also showcases competition assays for a few selected fragments
39
+ 2. :mag: [**Explore protein sets**](https://2.ligand-discovery.ai) With this tool, you can in put a set of proteins and see how many fragments interact with them according to our chemoproteomics data. We categorize proteins by their promiscuity/specificity levels to easily detect reported effect such as labeling bias
40
+ 3. :mountain: [**Protein set enrichment analysis**](https://3.ligand-discovery.ai/) Explore fragment profiles from an enrichment perspective. We capture protein annotations of multiple scopes, from domains and families to molecular functions and cellular localization. We offer global and detailed views for each fragment
41
+ 4. :robot_face: [**Fragment predictor**](https://4.ligand-discovery.ai/) Predict whether your fully-functionalized fragment of interest is likely to be promiscuous or associated with a specific interactome signature. We have predefined 10 interactome signatures capturing high-level biological processes that emerged from our chemoproteomics data
42
+ 5. :rocket: [**On-the-fly modeling**](https://5.ligand-discovery.ai/) Build a machine learning model on the fly to predict potential interactions between your fully-functionalized fragments and proteins of interest. Sets of proteins are accepted and organized in coherent subsets to maximize the chance of obtaining a good model
43
 
44
  This project was led by [Georg Winter](https://www.winter-lab.com/)'s group at [CeMM](https://cemm.at)
45
 
 
48
  '''
49
  )
50
 
 
 
51
  st.divider()
52
 
53
  st.subheader("Frequently Asked Questions")
 
106
 
107
  Three Type 1 (Global) Models and nine Type 2 (Specific) Models were used. Area Under Receiver Operating Characteristic (AUROC) of > 0.75 is considered a :blue[good model].
108
 
109
+ |Global | num. Proteins | AUROC
110
+ |---|---|---|
111
+ Prom-0 | 100+ | :blue[0.837]
112
+ Prom-1 | 200+ | :blue[0.800]
113
+ Prom-2 | 300+ | :red[0.713]
114
+ Prom-2 | 300+ | :red[0.713]
115
+
116
+ |Specific | num. Proteins | num. Fragments | AUROC
117
+ |---|---|---|---|
118
+ Prom-0-0|5+| < 4 | :blue[0.818]
119
+ Prom-0-1|10+| 4 -> 40 | :blue[0.809]
120
+ Prom-0-2|50+| > 40 | :blue[0.857]
121
+ Prom-1-0|10+| < 4 | :blue[0.771]
122
+ Prom-1-1|15+| 4 -> 40 | :blue[0.855]
123
+ Prom-1-2|100+| > 40 | :blue[0.858]
124
+ Prom-2-0|50+| < 4 | :red[0.771]
125
+ Prom-2-1|100+| 4 -> 40 | :red[0.743]
126
+ Prom-2-2|200+| > 40 | :blue[0.814]
127
 
128
  '''
129
+ )
130
+