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1jch

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.

3dmol.js

WebGL accelerated JavaScript molecular graphics library

atom-beautify

: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: )

awesome-nem

A curated list of awesome things related to NEM (XEM)

awesome-vue

A curated list of awesome things related to Vue.js

bulma-steps

Bulma's extension to manage steps

cdk.github.io

CDK Landing Page

cheminf-studio

Cheminformatics browser extension brings a suite of powerful tools and features directly to your web pages.

container-scp-aspera

A docker container for downloading MetaboLights studies

cookie-banner

JavaScript based cookie-info banner for complying with EU cookie law

cs76-aligner

A Pairwise Alignment Tool based on dynamic programming - Windows Desktop Application

d3vue

D3.js vs Vue.js examples

dev.to

Where programmers share ideas and help each other grow

docker-bioconductor

docker-postgres-rdkit

PostgreSQL Docker image with RDKit cartridge

docker-rdkit

Lightweight RDKit images for production deployment

docs.blockstack

Contains the source static site and tools for building that site from downstream repos.

ethprize

A repositry for the upcoming ETHPrize website.

europepmc-search

fibonacci-clock

fontawesome-icon-finder

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

gyromol

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

icon-search

A Google Chrome extension to search, preview and choose your favourite icons from Font Awesome / Material / OpenIconic / Foundation font icons from one interface

ideas

Swarm Home. New, completed and in-progress features for Status

metabolomics-base

metabolomics-galaxy

monaco-editor

A browser based code editor

nanowallet

Cross-platform lite wallet written in JavaScript

natural-product-likeness

Machine learning based" Natural Product Likeness" prediction

nem-php

NEM Blockchain NIS API Wrapper and Software Development Kit for PHP