mjw99 Goto Github PK
Name: Mark J. Williamson
Type: User
Company: @vernalis
Bio: Theoretical computational chemist
Location: UK
Blog: https://scholar.google.co.uk/citations?hl=en&user=vlNj5vYAAAAJ&view_op=list_works&sortby=pubdate
Name: Mark J. Williamson
Type: User
Company: @vernalis
Bio: Theoretical computational chemist
Location: UK
Blog: https://scholar.google.co.uk/citations?hl=en&user=vlNj5vYAAAAJ&view_op=list_works&sortby=pubdate
Protein structure descriptors and alignment based on 3D Zernike moments.
The Chemistry Development Kit
Proof of concept standalone tool for OSCAR and PDFs
A screen of drug fragments against SARS-CoV-2 main protease using YANK
Cytoscape plugin for SPADE
Interactive data analysis and visualisation with chemical intelligence
SMILES Depiction Generator
MNIST example with DL4J
ERKALE -- HF/DFT from Hel
Engineering Toolkit for Java
JavaFX based viewer and editor for molecules and proteins with surfaces
Example Maven project
Wrapper to access InChI from Java
JQuante is a basic Java QM toolkit, written in Java, that is inspired by PyQuante.
Java Microbenchmark Harness for jquante.
Open source Java-based chemistry library
JAC Benchmark for OpenMM
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion
An OPSIN web service using an AJAX enabled HTML page backed by Restlet
OSCAR (Open Source Chemistry Analysis Routines) is an open source extensible system for the automated annotation of chemistry in scientific articles.
Molecular structure optimizer
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.