Drug Discovery App Using Lipinski's Rule-of-Five.

Overview

Drug Discovery App

A Drug Discovery App Using Lipinski's Rule-of-Five.

APP

TAPIWA CHAMBOKO

portfolio linkedin github

🚀 About Me

I'm a full stack developer experienced in deploying artificial intelligence powered apps

Authors

Acknowledgements

Demo

Live demo

Click here for Live demo

Installation

Install required packages

  pip install streamlit
  pip install numpy
  pip install seaborn 
  pip install pandas
  pip install matplotlib
  pip install streamlit-lottie
  pip install mols2grid
  pip install rdkit-pypi

Datasets

  • The drug.txt Dataset in data folder is bieng used

Code Snippet For Drug structure

raw_html = mols2grid.display(df_result4,
                            #subset=["Name", "img"],
                            subset=["img", "Name", "MW", "LogP", "NumHDonors", "NumHAcceptors"],
                            mapping={"smiles": "SMILES", "generic_name": "Name"})._repr_html_()
components.html(raw_html, width=900, height=1100, scrolling=False)

Deployment

To deploy this project we used streamlit to create Web App

  • Run this code below
  streamlit run app.py 

Appendix

Happy Coding!!!!!!

Owner
tapiwa chamboko
tapiwa chamboko
Shopping-card - Shopping Card Project With Python

Shopping Card Project this application was built to handle problems with saving

moein98 1 May 06, 2022
An osu! cheat made in c++ rewritten in python and currently undetected.

megumi-python An osu! cheat made in c++ rewritten in python and currently undetected. Installation Guide Download python 3.9 from https://python.org C

Elaina 2 Nov 18, 2022
Turn crypto miner on/off depending on powerwall charge level

Mining Crypto with Tesla Solar and Powerwalls This script turns a crypto miner on and off when the Tesla Powerwall level drops/rises above a certain t

Matt 1 Nov 09, 2021
Basic Hspice runner with Python

HSpicePy Bilgisayarınıza PATH değişkenlerine eklediğiniz HSPICE programını python ile çalıştırmanızı sağlayan basit bir araç. A simple tool that allow

1 Nov 16, 2021
Make after-work Mending More flexible In Python

Mending Make after-work Mending More flexible In Python A Lite Package focuses on making project's after-post mending pythonic and flexible. Certainly

2 Jun 15, 2022
Adjust the white point, gamma or make your XDR display darker without losing HDR peak luminance or the ability to adjust display brightness

XDR Tuner Adjust the white point, gamma or make your XDR display darker without losing HDR peak luminance or the ability to adjust display brightness

François Simond 16 Dec 28, 2022
A simple interface to help lazy people like me to shutdown/reboot/sleep their computer remotely.

🦥 Lazy Helper ! A simple interface to help lazy people like me to shut down/reboot/sleep/lock/etc. their computer remotely. - USAGE If you're a lazy

MeHDI Rh 117 Nov 30, 2022
It really seems like Trump is trying to get his own social media started. Not a huge fan tbh.

FuckTruthSocial It really seems like Trump is trying to get his own social media started. Not a huge fan tbh. (When TruthSocial actually releases, I'l

0 Jul 18, 2022
Python bindings for Basler's VisualApplets TCL script generation

About visualapplets.py The Basler AG company provides a TCL scripting engine to automatize the creation of VisualApplets designs (a former Silicon Sof

Jürgen Hock 2 Dec 07, 2022
Scrapper For Paste.pics

PrntScScrapper Scrapper for Paste.pics If you are bored you can find some random screenshots from prnt.sc Features Saving screenshots Open in Browser

Fareusz 1 Dec 29, 2021
Flask html response minifier

Flask-HTMLmin Minify flask text/html mime type responses. Just add MINIFY_HTML = True to your deployment config to minify HTML and text responses of y

Hamid Feizabadi 85 Dec 07, 2022
This repo houses the qhub frontend moving forward.

This repo houses the qhub frontend moving forward. This effort will house a backend written in fastAPI, and a fronend in Vue, with additional components.

Quansight 1 Feb 10, 2021
Type Persian without confusing words for yourself and others, in Adobe Connect

About In the Adobe Connect chat section, to type in Persian or Arabic, the written words will be confused and will be written and sent illegibly (This

Matin Najafi 23 Nov 26, 2021
Binary++ is an esoteric programming language based on* binary

Binary++ is an esoteric programming language based on* binary. * It's meant to be based on binary, but you can write Binary++ code using different mea

Supercolbat 3 Feb 18, 2022
Exercise to teach a newcomer to the CLSP grid to set up their environment and run jobs

Exercise to teach a newcomer to the CLSP grid to set up their environment and run jobs

Alexandra 2 May 18, 2022
Easily Generate Revolut Business Cards

RevBusinessCardGen Easily Generate Revolut Business Cards Prerequisites Before you begin, ensure you have met the following requirements: You have ins

Younes™ 35 Dec 14, 2022
Regular Expressions - Use regular expressions to detect date format

A list of all the resources used https://regex101.com/ - To test regex https://w

Ravika Nagpal 1 Jan 04, 2022
Extremely unfinished animation toolset for Blender 3.

AbraTools Alpha IMPORTANT: Code is a mess. Be careful using it in production. Bug reports, feature requests and PRs are appreciated. Download AbraTool

Abra 15 Dec 17, 2022
Um jogo para treinar COO em python

WAR DUCK Este joguinho bem simples tem como objetivo treinar um pouquinho de POO com python. Não é nada muito complexo mas da pra se divertir Como rod

Gabriel Jospin 3 Sep 19, 2021
Convert three types of color in your clipboard and paste it to the color property (gamma correct)

ColorPaster [Blender Addon] Convert three types of color in your clipboard and paste it to the color property (gamma correct) How to Use Hover your mo

13 Oct 31, 2022