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notebooks/report.md

@@ -5,9 +5,11 @@ The Chemical Equation Balancer is a Python-based package designed to balance and
 It accepts reactants and products either as SMILES strings or chemical compound names and performs stoichiometric calculations to balance the equation. 
 Additionally, it calculates thermodynamic properties such as standard enthalpy, entropy, and Gibbs free energy to provide insights into the spontaneity of the reaction.
 
-## Motivations:
+## Motivations
+
 Balancing chemical equations is a fundamental task in chemistry, crucial for understanding reaction stoichiometry and predicting reaction outcomes. However, manually balancing complex equations can be time-consuming and error-prone. This tool aims to automate the balancing process, making it more efficient and accurate. Furthermore, by providing thermodynamic properties, it enhances the understanding of the underlying energetics of chemical reactions.
 A real-life use would be to help first-year EPFL students in ERC (equilibrium for chemical reactions) which have to do enthalpy and enthropy calculations all day long. 
+Another point that made us choose this project is that is was easy to add new features on the existing code.
 
 ## Description:
 The Chemical Equation Balancer is built using Python and leverages various libraries for cheminformatics, linear programming, and thermodynamic calculations. Key libraries include RDKit for molecular structure manipulation, PuLP for solving integer linear programming problems, and chemicals for retrieving chemical properties. The tool is deployed as a web application using Streamlit, allowing users to input reactants and products interactively.
@@ -35,6 +37,10 @@ During the whole project we faced many challenges. From the start with the decis
 The balance of the equation was less of a struggle as it really used skills we developped during the semester and last year. The next challege was the represenation of the reaction which was very time-consuming. In the end the vsg was a great compromise as is it easy to understand while keeping the major part of informations on the compounds structure and chemical reaction. 
 In the end, the biggest challenge was the organization of the python package with all the constrincts and requierments that it goes with (tests, notebook...)
 
+## What next ? 
+
+Improve the code to accept very complex molecules or large numbers of reactants and products.
+
 ## Conclusion:
 
 The Chemical Equation Balancer offers a convenient and efficient solution for balancing chemical equations, having a visual representation of them and analyzing reaction thermodynamics. By automating the balancing process and providing thermodynamic insights, it streamlines chemical analysis tasks and aids in the understanding of reaction kinetics and energetics. This tool serves as a valuable resource for students, researchers, and professionals working in the field of chemistry.