coleygroup Goto Github PK
Name: Coley Research Group @ MIT
Type: Organization
Blog: coley.mit.edu
Name: Coley Research Group @ MIT
Type: Organization
Blog: coley.mit.edu
context recommendation for ASPIRE project
The code and data associated to the project on screening for new bio-orthogonal click reactions
Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search
The code and data associated to the 1,3-dipolar cycloaddition reaction project
A fork of `dl-chem-101` stripped of comments and docstrings for an exercise in adding documentation.
bayesian optimization with input-space pruning
Enzyme datasets used to benchmark enzyme-substrate promiscuity models
Materials for the course Machine Learning for Molecular Engineering (3/7/10/20.C01/C51)
active learning for accelerated high-throughput virtual screening
Message Passing Neural Networks for Molecule Property Prediction
Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"
pythonic interface to virtual screening software
SMARTS sanitization
Measures of roughness for molecular property landscapes
Energy-based modeling of chemical reactions
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.