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Tools to build molecular-docking activity prediction models by PLS regression with iterative training and pose-selection. Descriptors include (i) docking score(s), (ii) pharmacophore features, (iii) multi-feature descriptors learned by decision trees.
Rqt is a library for calling R functions within C++/Qt4 applications. The argument interface uses QVariant for flexible exchange of data to and from R. This allows R calls as if they were part of the local Qt environment.
The Canopy project is an initiative to merge and expand the functionality of Perl-speaks-NONMEM (PsN), Census, Xpose and PopED. The goal is to produce a coherent, inclusive and convenient platform for pharmacometric data analysis.
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We use R (www.r-project.org) in order to generate a greater specificity and sensitivity of protein identification by Mass Spectrometry. These functions are implemented as add-on packages to the open source GPL software R.
SIPES (Security Incident Pollicy Enforcement System) aims to provide an automated e-mail,XML and PKI based system for automated security policy enforcement based on statefull risk assesment and open exchange formats.
Built with R, this code allows the user to simulate the game of basketball. While the main focus is on simulating the NBA, the code provides a framework for simulating other leagues by modifying the default set of rules.
VisualR is a (currently) Windows only C++ GUI programming interface to R.
It allows creating full featured applications that complelely control R and serves as a GUI programming toolkit that can be controlled from inside R code.
Everything you need to build production-ready agents and models. Access 200+ Google and third-party AI models and tools.
Gemini Enterprise Agent Platform is Google Cloud's comprehensive platform for developers to build, scale, govern, and optimize agents and models. Choose from Google's most advanced models and third-party models like Anthropic's Claude Model Family.
IoC container for the configuration and design for experimental design
InPUT offers a descriptive and programming language independent format and IoC (Inversion of Control) container for the configuration and design of computer experiments.
Code and more info can be found on github:
http://github.com/feldob/InPUT
For software developers in domains involving statistical analysis, the "R + Java = Inf" project analyses and enhances the interoperability between the R and Java programming languages. The deliverables are sourcecode, documentation and benchmarks.
A set of R functions (www.r-project.org) for simple hydrological models, based on linear and non-linear storages, MC simulation and multi-objective evaluation. The code provided here is aimed to be transformed into a proper R package at some point.
m0n0merhunter is a command line program for computing the most frequent delta masses of ultra high mass resolution and accurate mass measurements using mass spectrometer data.