Update README.md

README.md

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-# POMFinder
-Welcome to POMFinder!
-This is a simple machine learning tool for structure characterisation of polyoxometalate clusters using total scattering Pair 
-Distribution Function (PDF) analysis.  
-Simply provide a PDF and the model will output best best structural models from it structure catalog which contains 443 polyoxometalate clusters. 
-
-1. [Install](#install)
-2. [Usage](#usage)
-3. [Authors](#authors)
-4. [Cite](#cite)
-5. [License](#license)
-
-
-## Install
-To install POMFindeer you will need to have [Python](https://www.python.org/downloads/) or 
-[Anaconda](https://www.anaconda.com/products/individual) installed. I recommend running POMFinder on Python version
-3.7 or higher. If you have installed Anaconda you can create a new environment and activate it. 
-```
-conda create --name POMFinder_env python=3.7
-conda activate POMFinder_env
-```
-Now you are ready to install what you actually come for! Currently __POMFinder__ is not avaible through PyPI or conda so the
-package needs to be downloaded manually
-Run the following command to install the __POMFindeer__ package.  
-```
-pip install .
-or
-python setup.py install
-```
-
-To verify that __POMFinder__ have been installed properly try calling the help argument.
-```
-POMFinder --help
-
->>> usage: POMFinder [-h] -d DATA [-n NYQUIST] [-i QMIN] [-a QMAX] [-m QDAMP] [-f FILE_NAME]       
->>> 
->>> This is a package which takes a directory of PDF files 
->>> or a specific PDF file. It then determines the best structural 
->>> candidates based of a polyoxometalate catalog. Results can
->>> be fitted to the PDF. 
-```  
-This should output a list of possible arguments for running __POMFinder__ and indicates that it could find the package! 
-
-## Usage
-Now that __POMFinder__ is installed and ready to use, lets discuss the possible arguments. The arguments are described in 
-greater detail at the end of this section.
-
-| Arg | Description | Default |  
-| --- | --- |  --- |  
-|  | __Required argument__ | | 
-| `-h` or `--help` | Prints help message. |    
-| `-n` or `--nyquist` | Is the data nyquist sampled. __bool__ | `-n True`
-| `-i` or `--Qmin` | Qmin value of the experimental PDF. __float__ | `-i 0.7` 
-| `-a` or `--Qmax` | Qmax value of the experimental PDF. __float__ | `-a 30` 
-| `-m` or `--Qdamp` | Qdamp value of the experimental PDF. __float__ | `-m 0.04`
-| `-f` or `--file_name` | Name of the output file. __str__ | `-o ''` 
-| `-d` or `--data` | A directory of PDFs or a specific PDF file. __str__ | `-d 5` 
-
-For example
-```  
-POMFinder --data "Experimental_Data/DanMAX_AlphaKeggin.gr" --nyquist "no" --Qmin 0.7 --Qmax 20 --Qdamp 0.02
-
->>> The 1st guess from the model is:  icsd_427457_1_0.9rscale.xyz
->>> The 2nd guess from the model is:  icsd_427379_0_0.9rscale.xyz
->>> The 3rd guess from the model is:  icsd_281447_0_1.0rscale.xyz
->>> The 4th guess from the model is:  icsd_423775_0_0.9rscale.xyz
->>> The 5th guess from the model is:  icsd_172542_0_1.1rscale.xyz
-
-```  
-# Authors
-__Andy S. Anker__<sup>1</sup>   
-__Emil T. S. Kjær__<sup>1</sup>  
-__Kirsten M. Ø. Jensen__<sup>1</sup>    
- 
-<sup>1</sup> Department of Chemistry and Nano-Science Center, University of Copenhagen, 2100 Copenhagen Ø, Denmark.   
-
-Should there be any question, desired improvement or bugs please contact us on GitHub or 
-through email: __andy@chem.ku.dk__.
-
-# Cite
-If you use our code or our results, please consider citing our paper. Thanks in advance!
-```
-```
-
-# License
-This project is licensed under the Apache License Version 2.0, January 2004 - see the [LICENSE](LICENSE) file for details.
+---
+title: POMFinder App
+emoji: 🚀
+colorFrom: green
+colorTo: blue
+sdk: streamlit
+sdk_version: 1.10.0
+app_file: app.py
+pinned: false
+license: apache-2.0
+---