Chandu Nainala's Projects
Statistical model(s) for the prediction of NMR one-bond proton-carbon coupling constants to aid in computer assisted structure elucidation. The models are based on quantitative structure property descriptors calculated from mined literature data. Predictions were benchmarked against one-bond proton-carbon values computed via a quantum-mechanical approach by NWChem. A web based java application is developed embedding the developed prediction model(s). This web application completely automates the process of extraction of data from NWChem log files and the use the data for the one-bond coupling-constants prediction.
WebGL accelerated JavaScript molecular graphics library
:lipstick: Universal beautification package for Atom editor (:warning: Currently migrating to https://github.com/Unibeautify/ and have very limited bandwidth for Atom-Beautify Issues. Thank you for your patience and understanding :heart: )
A curated list of awesome things related to NEM (XEM)
A curated list of awesome things related to Vue.js
Bulma's extension to manage steps
CDK Landing Page
Cheminformatics browser extension brings a suite of powerful tools and features directly to your web pages.
A docker container for downloading MetaboLights studies
JavaScript based cookie-info banner for complying with EU cookie law
A Pairwise Alignment Tool based on dynamic programming - Windows Desktop Application
D3.js vs Vue.js examples
Where programmers share ideas and help each other grow
PostgreSQL Docker image with RDKit cartridge
Lightweight RDKit images for production deployment
Contains the source static site and tools for building that site from downstream repos.
A repositry for the upcoming ETHPrize website.
A Google Chrome extension that allows you to search, preview and choose Font Awesome icons. You can copy the selected icon as a HTML code or Unicode
A Node.js and Socket.IO implementation that lets you to use your smart phone(gyroscope) to rotate Jmol-Objects (Molecules) in 3D on a larger screen
A Google Chrome extension to search, preview and choose your favourite icons from Font Awesome / Material / OpenIconic / Foundation font icons from one interface
Swarm Home. New, completed and in-progress features for Status
A browser based code editor
Cross-platform lite wallet written in JavaScript
Machine learning based" Natural Product Likeness" prediction
NEM Blockchain NIS API Wrapper and Software Development Kit for PHP