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Computational Chemistry Tool scripts

Open Babel

Open Babel is a chemical toolbox designed to speak the many languages of chemical ... convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.That means that ... analyzing chemical files - A complete programmer's toolkit to allow easy chemistry software development ...
C/C++
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The Python Macromolecular Library

The Python Macromolecular Library (mmLib) is a software toolkit and library of routines for the analysis and manipulation of macromolecular structural models, implemented in the Python programming language. It is accessed via a layered, object-oriented application programming interface, and provides a range of useful software components for parsing mmCIF, and ...
Python
The Python Macromolecular Library downloadDownload

Natural Language Toolkit

NLTK, the Natural Language Toolkit, is a suite of program modules, data sets and tutorials supporting research and teaching in computational linguistics and natural language processing. NLTK is ideally ... learning.NLTK has been used successfully as a teaching tool, as an individual study tool, and as a platform for prototyping and building ...
Python
Natural Language Toolkit downloadDownload

GTS Library

... and efficient library to scientists dealing with 3D computational surface meshes. Main features: - Simple object-oriented structure giving easy access to topological properties. - 2D dynamic Delaunay and constrained Delaunay triangulations. - Robust geometric predicates (orientation, in circle) using fast adaptive floating point arithmetic - Robust set ...
C/C++
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PHP Stats

... the fields of medicine, computer science, economics, psychology, chemistry, physics and many more. Statistics allow people to ... PHP Stats will contain all of the current tools found in many popular statistic programs like Mini-Tab ... the include files to build your own analysis tools. To use PHP Stats download the current version ...
PHP
PHP Stats downloadDownload

Python Laboratory Operations Toolkit

This package is a loosely defined collection of tools for application of Python in a laboratory environment. It consists of pure python protocol drivers for various useful devices, including: National Instrument DSTP protocol to interface Python to LabVIEW VXI-11 protocol, to allow python to talk to a host of GPIB-like ...
Python
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Fityk

Fityk is a program for nonlinear fitting of analytical functions (especially peak-shaped) to data (usually experimental data). There are also people using it to remove the baseline from data, or to display data only. It is reportedly used in crystallography, chromatography, photoluminescence and photoelectron spectroscopy, infrared and Raman spectroscopy, to name ...
C/C++
Fityk downloadDownload

Web Based Database Query Tool

Web Based Database Query Tool is a simple free Web based MySql database query tool.Features: - Web based mysql database query tool in php. - Easy to use tool that can be integrated in to any web ...
PHP
Web Based Database Query Tool downloadDownload

Browser Automation tool

This is a tool for automating the browser via shellwindows. This class file will allow a user to find any "OPEN" browser window and automate it. You can access an "open" browser window, set the text in the Textbox, Select a List item or Click a forms submit buttontbox, >Sel/ ...
Python
Browser Automation tool downloadDownload

MayaVi

... written in Python and uses the amazing Visualization Toolkit (VTK) for the graphics. It provides a GUI ... scripted from the Python interpreter.  - Visualize computational grids. - Visualize scalar, vector and tensor data. - Quite a few data filters are also provided. - Supports volume visualization ...
Python
MayaVi downloadDownload

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