Open Source Python Scientific/Engineering Software - Page 29

py-rrdtool is a Python module provides an interface to RRDTool, the well known graphing/logging tool.

QMCF2 is a molecular-simulation package for molecular dynamics, Monte Carlo, geometry optimization, molecular mechanics, and combined quantum-mechanical/molecular-mechanical calculations. The source includes force-field, electrostatics, constraints, thermostats, pressure control, water models, QMCF/QM-MM, external-QM interfaces, conversion tools, and analysis utilities. Interfaces are available for xTB, DFTB+, Gaussian, Turbomole, CRYSTAL, and ASE-based workflows. External programs must be installed separately. Installation: open the Code tab and download or clone the complete repository. On Linux, open a terminal in `qmcf2_installer` and run: `python3 qmcf2_installer.py3` Review the detected compilers, libraries, paths, and warnings, then start the build. The manual is located at `qmcf2_html/qmcf2_doc/manual/qmcf2_manual.pdf`. QMCF2 is research software under active development. Validate calculations on small reference systems before production use. Licensed under GPL3.

This is a viral quasispecies reconstruction software for quasispecies assembly problem on mRNA viruses, which is based on a correlation clustering approach and uses semidefinite optimization framework. The software accepts a reference genome, a NGS read set aligned to this reference and set of SNP locations in the form of a vcf file and outputs an optimal set of reconstructed species genomes which describes the underlying viral population.

Calculate electronic properties of graphene-like systems with a user friendly interface. The code uses the tight binding approximation and it is able to stude in a 0D, 1D and 2D geometries, orbital and magnetic fields, intrinsic and extrinsic spin-orbit coupling, sublattice imbalance, and interactions at the mean field level. The most recent version can be found in https://github.com/joselado/quantum-honeycomp Example videos https://www.youtube.com/watch?v=8gO1yRmwgAs https://www.youtube.com/watch?v=FQlkqAW7Nhs https://www.youtube.com/watch?v=R7Kt3_DHTtM https://www.youtube.com/watch?v=tQKG_h0FaTM

QuickFlash is a C++-based analysis library for data files generated by the Flash hydrodynamics code. It provides high-performance access to large datasets in low memory situations and other restrictive environments.

A python-based calculator that uses the Sabine, Norris-Eyring and Fitzroy formulae to calculate the RT60 time of a room with given specifications. Material list from SAE Institute reference.

The Rudify tools are a collection of tools for ontology tagging.

SCons is a make replacement providing a range of enhanced features such as automated dependency generation and built in compilation cache support. SCons rule sets are Python scripts so as well as the features it provides itself SCons allows you to use the full power of Python to control compilation. This package is an extension (tool) to SCons, which enables "compilation" of gnuplot scripts in SCons-based projects. The intended audience include (but is not limited to) authors/publishers of LaTeX documents, scientific comunity and authors of the projects relying on automatic generation of plots.

Spectral-SpecPro helps with the manipulation of optical spectroscopy data. Spectral takes files produced by Jasco instruments (uv-vis absorbance, fluorescence, circular dichroism readings as a function of wavelength, temperature, or time) and facilitates basic operations such as unit conversion (CD spectra), conversion into the format taken by CDPro (estimation of secondary structure; CD spectra), scatter correction (absorbance spectra), smoothing, re-sampling of the x-axis, and generic combination (sum, product, average, standard deviation) of multiple curves. Spectral-SpecPro is based on earlier software written by Stephen R Martin (MRC-NIMR London NW7 and Francis Crick Institute London NW1).

A python pygtk based calculator designed to be very simple and very modular. This program will aim to let the user add functionality with ease. This program will have functionality such as a history and variable assignment.

The Wolfram Machine project is an effort to create a set of documentation and useful modules (both hardware and software) for a computing architecture based on the mathematical theories presented in Steven Wolfram's book _A_New_Kind_of_Science_.

A web browser designed for research into web site usability, TrackBrowser records user events such as which buttons they pressed, which hyperlinks they clicked on, all with the time and date of the event. Please note that this is only available for Windo

An Open Source code base that will be used to develop a 3Dapplication development browser plugin and runtime owned by FunTrench.

Latest version 0.9.1 runs on Python3. Date: June 15, 2023 Online/touch-screen version: https://www.asymptopia.com/tuxmathscrabble/ Encourages kids to construct compound equations and consider multiple abstract possibilities.

Multiplayer framework for flight simulators. Based on M&S HLA 1.3 standards. Provides a 3D air traffic visualization tool and HLA plug-ins for FlightGear, Microsoft Flight Simulator X and X-Plane.

UPDATE: LATEST VERSION AT http://git.durrantlab.com//jdurrant/wisp Allostery can occur by way of subtle cooperation among protein residues (e.g., amino acids) even in the absence of large conformational shifts. Dynamical network analysis has been used to model this cooperation, helping to computationally explain how binding to an allosteric site can impact the behavior of a primary site often many angstroms away. Traditionally, computational efforts have focused on the most optimal path of correlated motions leading from the allosteric to the primary active site. We present a program called Weighted Implementation of Suboptimal Paths (WISP) capable of rapidly identifying additional suboptimal pathways that may also play important roles in the transmission of allosteric signals. Aside from providing signal redundancy, suboptimal paths traverse residues that, if disrupted through pharmacological or mutational means, could modulate the allosteric regulation of important drug targets.

Python script that was originally intended for use in forensic examinations that parses WTMP files from Unix-like operating systems and generates a CSS-styled HTML report containing login terminal, username, log start date and login time/date in a table. Good for postmortem forensic examinations or as a way of getting "last" like information where you don't have the ability to boot the machine in question but can grab the wtmp.

A Step Closer to a Fully Gui ATLAS .log Converter A Gui .in Editor to be Used by ATLAS .log awk converter

Wattos is a collection of mostly Java programs for Structural Biology and NMR Spectroscopy. It's programs analyze, annotate, parse, archive, and disseminate experimental NMR data deposited by authors world wide into the PDB and BMRB.

Software, information, data sets and documentation for the Web as Corpus community.

Sharing lists of molecular structures with associated chemical properties is a common task in computer-aided drug design and medicinal chemistry. WebChem Viewer is a simple, free, open-source program that generates HTML-formatted output that can be viewed in any modern web browser, on any operating system (including mobile), without requiring the installation of additional software. The output can also be easily incorporated into existing web pages. WebChem Viewer is released under the FreeBSD license. It was created by Jacob Durrant, a post-doc in the lab of Rommie E. Amaro.

WikiPDF is a mediawiki extension based on Wiki2PDF that adds PDF/LaTeX features to mediawiki. Wiki2PDF is a python script to convert multiple articles of a mediawiki based wiki (pre-configured to use with www.wikipedia.org) to a single LaTeX or PDF file.

A python-based system to diagnosis and make weather maps (wxmap) of numerical weather prediction models using the Grid Analysis and Display System (GrADS) from opengrads.org

This is python2.7.3 which can be compiled using android-ndk By using python ,Its is possible to run lot of great application in android phone. At the time of writing I could run IPython, Isympy, Django etc on my android phone. This project only considering command-line binary builds. Not any GUI apps.