Improve README

README.md

@@ -13,7 +13,7 @@
 
 CARE (*Catalysis Automated Reaction Evaluator*) is a tool for generating and manipulating chemical reaction networks (CRNs) on catalytic surfaces. CARE is powered with [GAME-Net-UQ](https://github.com/LopezGroup-ICIQ/gamenet_uq), a graph neural network with uncertainty quantification targeting the DFT energy of relaxed species and transition states.
 
-## Installation
+## 🪛 Installation
 
 Installing CARE requires Conda ang Git locally installed. The following instructions are optimized to install CARE on Linux systems, while for macOS we noticed a lower performance in the CRN generation mainly due to Python multiprocessing (see *Contexts and start methods* in the [documentation](https://docs.python.org/3/library/multiprocessing.html))
 
@@ -47,25 +47,20 @@ conda install pytorch cpuonly pyg -c pytorch -c pyg
 
 *NOTE: MacOS users might need to install pytorch geometric using pip.*
 
-5. (optional) Install [Julia](https://julialang.org/) to perform microkinetic simulations with Julia solvers. As alternative, simulations can run with the implemented Scipy solver.
+5. (optional) Install [Julia](https://julialang.org/) and the ODE packages required to perform microkinetic simulations. As alternative, simulations can run with the implemented Scipy solver.
 
 ```bash
-curl -fsSL https://install.julialang.org | sh
+curl -fsSL https://install.julialang.org | sh  
+python3 -m pip install juliacall  # Python-Julia bridge
+julia -e 'import Pkg; Pkg.add("DifferentialEquations"); Pkg.add("DiffEqGPU"); Pkg.add("CUDA");'
 ```
-*NOTE: For some systems Julia may present some error while using sh. If that is the case, please install Julia by running instead the following command.*
+*NOTE: For some systems Julia may present some error while using sh. If that is the case, please install Julia by running instead:*
 
 ```bash
 curl -fsSL https://install.julialang.org | sh -s -- -y
 ```
 
-6. (optional) Install JuliaCall to run Julia code from Python and the required Julia dependencies by running the following:
-
-```bash
-python3 -m pip install juliacall
-julia -e 'import Pkg; Pkg.add("DifferentialEquations"); Pkg.add("DiffEqGPU"); Pkg.add("CUDA");'
-```
-
-## Usage and tutorials
+## 💥 Usage and tutorials
 
 The current way to generate chemical reaction networks and running microkinetic simulations with CARE requires configuring a .toml configuration file and running the `care_run` script:
 
@@ -91,15 +86,15 @@ with open('path_to_output_dir/crn.pkl', 'rb') as pickle_file:
     crn = load(pickle_file)
 ```
 
-## Notes
+## ❗️Notes
 
 The DFT database in ASE format used to retrieve available CRN intermediates will be uploaded soon in Zenodo.
 
-## License
+## ✒️ License
 
 The code is released under the [MIT](./LICENSE) license.
 
-## Reference
+## 📜 Reference
 
 - **A Foundational Model for Reaction Networks on Metal Surfaces**
   Authors: S. Morandi, O. Loveday, T. Renningholtz, S. Pablo-García, R. A. Vargas Hernáńdez, R. R. Seemakurthi, P. Sanz Berman, R. García-Muelas, A. Aspuru-Guzik, and N. López