Search Results for "path-setting"

...It aims to simplify the process of performing simulations, calculations, and experimental analysis by providing structured workflows that integrate computational physics methods with reproducible research practices. The project focuses on reducing the friction involved in setting up experiments, running simulations, and analyzing results, allowing researchers to focus more on scientific insight rather than infrastructure. It emphasizes automation and reproducibility, ensuring that experiments can be easily replicated and extended by other researchers. The framework is adaptable to different areas of physics, making it suitable for both theoretical and applied research scenarios.

...We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and analyzing molecular simulations, in particular of systems of biological relevance. It focuses on a wide availability of algorithms for (advanced) sampling and is capable of combining Monte Carlo and molecular dynamics in seamless fashion. ...

Graphical user interface for gnuplot to create publication quality figure very quickly. It supports templates for fast formatting of graphics, different plot styles, insets, axis and label options. One important feature is storing metadata in png and pdf files that can be used to reload any graph saved with QuickPlot.

**(9 march 2016) this project is continued on github : http://jaapkroe.github.io/polypy ** Python script to analyze (shortest-path) rings in structures read from xyz-files. It can be useful for example to identify defects in crystal structures or molecules.

This project is for particle accelerator start-to-end simulation. The project contains software infrastructure for setting up model run as service/client mode.

Path Sim contains a collection of tools for analysing Biochemical pathways with respect to stochastic behavior and cell-to-cell variations.