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route-distances

Tools and routines to calculate distances between synthesis routes and to cluster them.

rp2paths

RetroPath2.0 to pathways

rpostgres

A DBI-compliant interface to PostgreSQL

rpresto

DBI-based adapter for Presto for the statistical programming language R.

rpy2

Interface to use R from Python

rrapply

rrapply: revisiting base-R's rapply

rrnni

R package for RNNI distance

rsample

Classes and functions to create and summarize resampling objects

rsc_openscience_standardization_202104

Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series

rspectral

rsqlite

R interface for SQLite

rss

Radical Stability Score

rssa

R package for Singular Spectrum Analysis

rstudio-conf

Materials for rstudio::conf

rsv_epitope

rtl

R package for commodities and finance analytics. Sister python package details below.

rtrend

rtsne

R wrapper for Van der Maaten's Barnes-Hut implementation of t-Distributed Stochastic Neighbor Embedding

rttf2pt1

R package for ttf2pt1- to be used with extrafont package

running_gromacs

rvinecopulib

R interface to the vinecopulib C++ library

rvowpalwabbit

R interface to the Vowpal Wabbit

rxdock

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]

rxitect

A deep reinforcement learning-based drug molecule generator focused on generation of molecules using SELFIES to exploit the guarantee of valid molecular structures.

rxn-chemutils

Chemistry-related Python utilities used in the RXN universe

rxn-ebm

Energy-based modeling of chemical reactions

rxn4chemistry

Python wrapper for the IBM RXN for Chemistry API

rxnat

rxnbalancer

Balance chemical reactions with the proper coefficients

rxnconcompiler

Systems Biology tool for iterative network building