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Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search
Retrosynthesis planner
2019"默克"杯逆合成反应预测大赛
Retrosynthesis by template prediction (a la Segler and Waller)
Retrosynthetic prediction with Atom Environments
Visual Analysis of performance of state-of-the-art models for retrosynthesis
Data and code for Rosati, Pogorelyy, Minervina et al 2021.
An Evolution Strategies framework for single and multi-objective optimization
Template-free prediction of organic reaction outcomes
Machine Learning Predicts the Functional Composition of the Protein Corona and the Cellular Recognition of Nanoparticles
A machine learning approach to predicting protein-ligand binding affinity.
Call FACTS from R on Linux
A collection of Rfast functions for data analysis. Note 1: The vast majority of the functions accept matrices only, not data.frames. Note 2: Do not have matrices or vectors with have missing data (i.e NAs). We do no check about them and C++ internally transforms them into zeros (0), so you may get wrong results. Note 3: In general, make sure you give the correct input, in order to get the correct output. We do no checks and this is one of the many reasons we are fast.
A collection of Rfast2 functions for data analysis. Note 1: The vast majority of the functions accept matrices only, not data.frames. Note 2: Do not have matrices or vectors with have missing data (i.e NAs). We do no check about them and C++ internally transforms them into zeros (0), so you may get wrong results. Note 3: In general, make sure you give the correct input, in order to get the correct output. We do no checks and this is one of the many reasons we are fast.
Protein hallucination and inpainting with RoseTTAFold
RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening
RF-Score-VS binary
Description: Develop functional singular spectrum analysis tools and plots
R package for the GenSVM classifier
Home repository for the Regularized Greedy Forest (RGF) library. It includes original implementation from the paper and multithreaded one written in C++, along with various language-specific wrappers.
Recurrent Geometric Networks for end-to-end differentiable learning of protein structure
CRAN R Package: Ridge Regression with automatic selection of the penalty parameter
igraph R package
Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring systems. The code does not support full tree search and is intended as supplementary material to the published paper.
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.