Create app.py
Browse files
app.py
ADDED
@@ -0,0 +1,95 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
+
import streamlit as st
|
2 |
+
|
3 |
+
# Page title
|
4 |
+
st.title("🩺🔍 Search Results")
|
5 |
+
|
6 |
+
# Date and title
|
7 |
+
st.markdown("**Date:** 08 Dec 2023")
|
8 |
+
st.markdown("**Title:** Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond")
|
9 |
+
st.markdown("[**Abstract Link**](https://arxiv.org/abs/2307.07085)")
|
10 |
+
st.markdown("[**PDF Link**](https://arxiv.org/pdf/2307.07085)")
|
11 |
+
st.write("---")
|
12 |
+
|
13 |
+
# Sample table
|
14 |
+
search_data = [
|
15 |
+
{"Date": "08 Dec 2023", "Title": "Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond", "Abstract Link": "https://arxiv.org/abs/2307.07085", "PDF Link": "https://arxiv.org/pdf/2307.07085"},
|
16 |
+
{"Date": "11 Apr 2023", "Title": "Design, Integration, and Field Evaluation of a Robotic Blossom Thinning System for Tree Fruit Crops", "Abstract Link": "https://arxiv.org/abs/2304.04919", "PDF Link": "https://arxiv.org/pdf/2304.04919"},
|
17 |
+
# Add more rows as needed...
|
18 |
+
]
|
19 |
+
|
20 |
+
# Display table in Streamlit
|
21 |
+
st.write("### 📅 Summary of Search Results")
|
22 |
+
st.table(search_data)
|
23 |
+
|
24 |
+
st.markdown('''
|
25 |
+
|
26 |
+
|
27 |
+
Discovery of Espaloma-0.3 (Hero's Journey)
|
28 |
+
|
29 |
+
Ordinary World: Traditional force fields struggle with flexibility and extensibility.
|
30 |
+
Call to Adventure: Researchers propose a new approach using graph neural networks.
|
31 |
+
Refusal of the Call: Skeptics doubt the new method's feasibility without extensive computational resources.
|
32 |
+
Meeting the Mentor: Collaboration with experts in quantum chemistry and machine learning.
|
33 |
+
Crossing the Threshold: Initial tests show promising results, validating the concept.
|
34 |
+
Tests, Allies, and Enemies: The method faces challenges with specific molecular systems but gains support.
|
35 |
+
Approach to the Inmost Cave: Intensive training on a diverse dataset.
|
36 |
+
Ordeal: Tackling edge cases and ensuring stability in simulations.
|
37 |
+
Reward: The model achieves impressive accuracy and robustness.
|
38 |
+
The Road Back: Publication and refinement for real-world applications.
|
39 |
+
Resurrection: Acceptance and adoption in the wider scientific community.
|
40 |
+
Return with the Elixir: A new, powerful tool for drug discovery and molecular simulations.
|
41 |
+
Robotic Blossom Thinning (Rags to Riches)
|
42 |
+
|
43 |
+
Initial Wholeness: Apple orchards rely heavily on manual labor.
|
44 |
+
Fall from Grace: Inefficiency and cost concerns rise.
|
45 |
+
Journey: Researchers develop a robotic solution for blossom thinning.
|
46 |
+
Personal Resolve: Field tests reveal the robot's potential.
|
47 |
+
Self-discovery: Optimizing the end-effector's performance.
|
48 |
+
Major Victory: Significant reduction in labor and cost.
|
49 |
+
False Defeat: Encountering technical issues during deployment.
|
50 |
+
Final Victory: Successful large-scale adoption of the robotic system.
|
51 |
+
Climax: Recognition of the system’s effectiveness and efficiency.
|
52 |
+
Happily Ever After: Sustainable and cost-effective orchard management.
|
53 |
+
Graph-Neural-Network Approach for Force Fields (Quest)
|
54 |
+
|
55 |
+
Goals: Develop accurate and extendible force fields for large organic molecules.
|
56 |
+
Challenges: Accurately modeling complex interactions.
|
57 |
+
Journey: Combining physics-driven potentials with neural network models.
|
58 |
+
Teamwork: Collaboration between physicists, chemists, and data scientists.
|
59 |
+
Trials: Extensive testing on different molecular sizes.
|
60 |
+
Transformation: The approach proves to be robust and extendible.
|
61 |
+
Setbacks: Refining the model for diverse chemical domains.
|
62 |
+
Redemption: Improved predictions for new molecular systems.
|
63 |
+
Success: Establishing a new standard for force field development.
|
64 |
+
Homecoming: Adoption in scientific research and industry applications.
|
65 |
+
''')
|
66 |
+
|
67 |
+
|
68 |
+
# Streamlit app
|
69 |
+
|
70 |
+
import streamlit as st
|
71 |
+
|
72 |
+
st.title("🩺🔍 Search Results")
|
73 |
+
|
74 |
+
# Add Stories
|
75 |
+
st.header("Discovery of Espaloma-0.3 (Hero's Journey) 🧙♂️")
|
76 |
+
st.markdown("1. **Ordinary World:** Traditional force fields struggle with flexibility and extensibility.")
|
77 |
+
st.markdown("2. **Call to Adventure:** Researchers propose a new approach using graph neural networks.")
|
78 |
+
# Continue story steps...
|
79 |
+
|
80 |
+
st.header("Robotic Blossom Thinning (Rags to Riches) 🛠️")
|
81 |
+
st.markdown("1. **Initial Wholeness:** Apple orchards rely heavily on manual labor.")
|
82 |
+
# Continue story steps...
|
83 |
+
|
84 |
+
st.header("Graph-Neural-Network Approach for Force Fields (Quest) 🕵️♂️")
|
85 |
+
st.markdown("1. **Goals:** Develop accurate and extendible force fields for large organic molecules.")
|
86 |
+
# Continue story steps...
|
87 |
+
|
88 |
+
# Display Search Results with a table
|
89 |
+
st.write("### 📅 Summary of Search Results")
|
90 |
+
search_data = [
|
91 |
+
{"Date": "08 Dec 2023", "Title": "Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond", "Abstract Link": "https://arxiv.org/abs/2307.07085", "PDF Link": "https://arxiv.org/pdf/2307.07085"},
|
92 |
+
{"Date": "11 Apr 2023", "Title": "Design, Integration, and Field Evaluation of a Robotic Blossom Thinning System for Tree Fruit Crops", "Abstract Link": "https
|
93 |
+
|
94 |
+
|
95 |
+
|