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retro_star

Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search

retrosynthesis_planner

Retrosynthesis planner

retrosynthesis_pytorch

retrosynthetic-reaction-prediction

2019"默克"杯逆合成反应预测大赛

retrotemp

Retrosynthesis by template prediction (a la Segler and Waller)

retrotrae

Retrosynthetic prediction with Atom Environments

retroviz

Visual Analysis of performance of state-of-the-art models for retrosynthesis

retroxpert

reverse_epitope_discovery

Data and code for Rosati, Pogorelyy, Minervina et al 2021.

revolution

An Evolution Strategies framework for single and multi-objective optimization

rexgen_direct

Template-free prediction of organic reaction outcomes

rf-and-pc

Machine Learning Predicts the Functional Composition of the Protein Corona and the Cellular Recognition of Nanoparticles

rf-score

A machine learning approach to predicting protein-ligand binding affinity.

rfacts

Call FACTS from R on Linux

rfast

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.

rfast2

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.

rfdesign

Protein hallucination and inpainting with RoseTTAFold

rforestry

rfscorevs

RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening

rfscorevs_binary

RF-Score-VS binary

rfssa

Description: Develop functional singular spectrum analysis tools and plots

rgan

rgensvm

R package for the GenSVM classifier

rgf

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.

rgn

Recurrent Geometric Networks for end-to-end differentiable learning of protein structure

rhino

ridge

CRAN R Package: Ridge Regression with automatic selection of the penalty parameter

rigraph

igraph R package

ringbreaker

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.

riop