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Tools and routines to calculate distances between synthesis routes and to cluster them.
RetroPath2.0 to pathways
A DBI-compliant interface to PostgreSQL
DBI-based adapter for Presto for the statistical programming language R.
Interface to use R from Python
rrapply: revisiting base-R's rapply
R package for RNNI distance
Classes and functions to create and summarize resampling objects
Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
R interface for SQLite
Radical Stability Score
R package for Singular Spectrum Analysis
Materials for rstudio::conf
R package for commodities and finance analytics. Sister python package details below.
R wrapper for Van der Maaten's Barnes-Hut implementation of t-Distributed Stochastic Neighbor Embedding
R package for ttf2pt1- to be used with extrafont package
R interface to the vinecopulib C++ library
R interface to the Vowpal Wabbit
RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]
A deep reinforcement learning-based drug molecule generator focused on generation of molecules using SELFIES to exploit the guarantee of valid molecular structures.
Chemistry-related Python utilities used in the RXN universe
Energy-based modeling of chemical reactions
Python wrapper for the IBM RXN for Chemistry API
Balance chemical reactions with the proper coefficients
Systems Biology tool for iterative network building
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.