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Create app.py

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  1. app.py +95 -0
app.py ADDED
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+ import streamlit as st
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+
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+ # Page title
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+ st.title("🩺🔍 Search Results")
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+
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+ # Date and title
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+ st.markdown("**Date:** 08 Dec 2023")
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+ st.markdown("**Title:** Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond")
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+ st.markdown("[**Abstract Link**](https://arxiv.org/abs/2307.07085)")
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+ st.markdown("[**PDF Link**](https://arxiv.org/pdf/2307.07085)")
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+ st.write("---")
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+
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+ # Sample table
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+ search_data = [
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+ {"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"},
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+ {"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"},
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+ # Add more rows as needed...
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+ ]
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+
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+ # Display table in Streamlit
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+ st.write("### 📅 Summary of Search Results")
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+ st.table(search_data)
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+
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+ st.markdown('''
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+
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+
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+ Discovery of Espaloma-0.3 (Hero's Journey)
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+
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+ Ordinary World: Traditional force fields struggle with flexibility and extensibility.
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+ Call to Adventure: Researchers propose a new approach using graph neural networks.
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+ Refusal of the Call: Skeptics doubt the new method's feasibility without extensive computational resources.
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+ Meeting the Mentor: Collaboration with experts in quantum chemistry and machine learning.
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+ Crossing the Threshold: Initial tests show promising results, validating the concept.
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+ Tests, Allies, and Enemies: The method faces challenges with specific molecular systems but gains support.
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+ Approach to the Inmost Cave: Intensive training on a diverse dataset.
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+ Ordeal: Tackling edge cases and ensuring stability in simulations.
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+ Reward: The model achieves impressive accuracy and robustness.
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+ The Road Back: Publication and refinement for real-world applications.
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+ Resurrection: Acceptance and adoption in the wider scientific community.
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+ Return with the Elixir: A new, powerful tool for drug discovery and molecular simulations.
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+ Robotic Blossom Thinning (Rags to Riches)
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+
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+ Initial Wholeness: Apple orchards rely heavily on manual labor.
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+ Fall from Grace: Inefficiency and cost concerns rise.
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+ Journey: Researchers develop a robotic solution for blossom thinning.
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+ Personal Resolve: Field tests reveal the robot's potential.
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+ Self-discovery: Optimizing the end-effector's performance.
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+ Major Victory: Significant reduction in labor and cost.
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+ False Defeat: Encountering technical issues during deployment.
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+ Final Victory: Successful large-scale adoption of the robotic system.
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+ Climax: Recognition of the system’s effectiveness and efficiency.
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+ Happily Ever After: Sustainable and cost-effective orchard management.
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+ Graph-Neural-Network Approach for Force Fields (Quest)
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+
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+ Goals: Develop accurate and extendible force fields for large organic molecules.
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+ Challenges: Accurately modeling complex interactions.
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+ Journey: Combining physics-driven potentials with neural network models.
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+ Teamwork: Collaboration between physicists, chemists, and data scientists.
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+ Trials: Extensive testing on different molecular sizes.
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+ Transformation: The approach proves to be robust and extendible.
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+ Setbacks: Refining the model for diverse chemical domains.
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+ Redemption: Improved predictions for new molecular systems.
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+ Success: Establishing a new standard for force field development.
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+ Homecoming: Adoption in scientific research and industry applications.
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+ ''')
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+
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+
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+ # Streamlit app
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+
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+ import streamlit as st
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+
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+ st.title("🩺🔍 Search Results")
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+
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+ # Add Stories
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+ st.header("Discovery of Espaloma-0.3 (Hero's Journey) 🧙‍♂️")
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+ st.markdown("1. **Ordinary World:** Traditional force fields struggle with flexibility and extensibility.")
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+ st.markdown("2. **Call to Adventure:** Researchers propose a new approach using graph neural networks.")
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+ # Continue story steps...
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+
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+ st.header("Robotic Blossom Thinning (Rags to Riches) 🛠️")
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+ st.markdown("1. **Initial Wholeness:** Apple orchards rely heavily on manual labor.")
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+ # Continue story steps...
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+
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+ st.header("Graph-Neural-Network Approach for Force Fields (Quest) 🕵️‍♂️")
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+ st.markdown("1. **Goals:** Develop accurate and extendible force fields for large organic molecules.")
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+ # Continue story steps...
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+
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+ # Display Search Results with a table
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+ st.write("### 📅 Summary of Search Results")
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+ search_data = [
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+ {"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"},
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+ {"Date": "11 Apr 2023", "Title": "Design, Integration, and Field Evaluation of a Robotic Blossom Thinning System for Tree Fruit Crops", "Abstract Link": "https
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+
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+
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+