liamwilbraham Goto Github PK
Name: Liam Wilbraham
Type: User
Company: Cronin Lab
Bio: Cheminformatics, Comp Chem & Python
Twitter: liam_wilbraham
Name: Liam Wilbraham
Type: User
Company: Cronin Lab
Bio: Cheminformatics, Comp Chem & Python
Twitter: liam_wilbraham
Simple python API for fast creation of input files for popular quantum chemistry codes
Dashboard for curating databases of molecular building blocks
Pip installable version of the encoder portion of the Junction Tree Variational Autoencoder https://arxiv.org/abs/1802.04364,
Repository for practice on kaggle datasets
Autoencoder network for learning a continuous representation of molecular structures.
Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)
Statistical analysis tool to help identify molecular substructures that promote target properties.
High-level module for ultra-fast structural optimisation and property calculations of organic co-polymers.
Easy-to-use python module for training multi-layer perceptrons (neural networks) from molecular SMILES and known associated properties
Combinatorially combine functional groups with molecular templates
A Python 3 library for building, manipulating, optimizing and designing molecules.
Automatically extract the bandgap of a material by the Tauc method
Examples of python that may be useful for research projects
analyzing USPTO database for information about particular reaction classes
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.