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
An application for automation of the mining function in the game Alienworlds.IO

alienautomation A Python script made to automate the tidious job of mining on AlienWorlds This script: Automatically opens the browser Automatically l

anonieXdev 42 Dec 03, 2022
Script to produce `.tex` files of example GAP sessions

Introduction The main file GapToTex.py in this directory is used to produce .tex files of example GAP sessions. Instructions Run python GapToTex.py [G

Friedrich Rober 2 Oct 06, 2022
The code submitted for the Analytics Vidhya Jobathon - February 2022

Introduction On February 11th, 2022, Analytics Vidhya conducted a 3-day hackathon in data science. The top candidates had the chance to be selected by

11 Nov 21, 2022
Reference management solution using Python and Notion.

notion-scholar Reference management solution using Python and Notion. The main idea of this app is to allow to furnish a Notion database using a BibTe

Thomas Hirtz 69 Dec 21, 2022
Visual Python and C++ nanosecond profiler, logger, tests enabler

Look into Palanteer and get an omniscient view of your program Palanteer is a set of lean and efficient tools to improve the quality of software, for

Damien Feneyrou 1.9k Dec 26, 2022
Multitrack exporter for OP-Z

Underbridge for OP-Z Multitrack exporter Description Exports patterns and projects individual audio tracks to seperate folders for use in your DAW. Py

Thomas Herrmann 71 Dec 25, 2022
Retrying library for Python

Tenacity Tenacity is an Apache 2.0 licensed general-purpose retrying library, written in Python, to simplify the task of adding retry behavior to just

Julien Danjou 4.3k Jan 02, 2023
Object-data mapper and advanced query manager for non relational databases

Object data mapper and advanced query manager for non relational databases. The data is owned by different, configurable back-end databases and it is

Luca Sbardella 121 Aug 11, 2022
Lags valorant servers by rapidly picking up and throwing shorties.

Lags valorant servers by rapidly picking up and throwing shorties.

Eric Still 9 Dec 30, 2021
Apache Airflow - A platform to programmatically author, schedule, and monitor workflows

Apache Airflow Apache Airflow (or simply Airflow) is a platform to programmatically author, schedule, and monitor workflows. When workflows are define

The Apache Software Foundation 28.6k Dec 28, 2022
The semi-complete teardown of Cosmo's Cosmic Adventure.

The semi-complete teardown of Cosmo's Cosmic Adventure.

Scott Smitelli 10 Dec 02, 2022
Repositório do programa ConstruDelas - Trilha Python - Módulos 1 e 2

ConstruDelas - Introdução ao Python Nome: Visão Geral Bem vinda ao repositório do curso ConstruDelas, módulo de Introdução ao Python. Aqui vamos mante

WoMakersCode 8 Oct 14, 2022
A data driven app for bicycle hiring in London(UK)

bicycle_hiring_app_deployed A data driven app for bicycle hiring in London(UK). It predicts expected number of bicycle hire in London. It asks users t

Rajarshi Roy Raju 1 Dec 10, 2021
A python script based on OpenCV-Python, you can automatically hang up the Destiny 2 Throne to get the Dawning Essence.

A python script based on OpenCV-Python, you can automatically hang up the Destiny 2 Throne to get the Dawning Essence.

1 Dec 19, 2021
Software for visualization of RTStruct structures on CT images

This script is responsible for the operation of the program, it is responsible for both creating the GUI and the process of processing images from dicom files. The program is based on the use of the

Adam Piszczek 0 Jun 29, 2022
Lightweight Scheduled Blocks Checker for Current Epoch. No cardano-node Required, data is taken from blockfrost.io

ReLeaderLogs For Cardano Stakepool Operators: Lightweight Scheduled Blocks Checker for Current Epoch. No cardano-node Required, data is taken from blo

SNAKE (Cardano Stakepool) 2 Oct 19, 2021
An alternative app for core Armoury Crate functions.

NoROG DISCLAIMER: Use at your own risk. This is alpha-quality software. It has not been extensively tested, though I personally run it daily on my lap

12 Nov 29, 2022
personal dotfiles for rolling release linux distros

dotfiles Screenshots: Directions: Deploy my dotfiles with yadm Packages from arch listed in .installed-packages Information on osu! see ~/Games/osu!/.

-pacer- 0 Sep 18, 2022
GEGVL: Google Earth Based Geoscience Video Library

Google Earth Based Geoscience Video Library is transforming to Server Based. The

3 Feb 11, 2022