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Chemistry Calculations scripts

JChart2D

... affect bounds. AWT is the bottleneck: Non-visible calculations (scaling, rounding, event-handling, label calculation) do not impose high load even if a point is added with bounds changes every 2ms. But enlarging the window does. So scaling is bound to painting and the adapting painting frequency is limited to a ...

Kalculator

Inside Kalculator you can write complete math expression which is then evaluated. You can also see the history for expressions already entered. Variables are also supported, so you can type "a = 0x0fc12 23" and then "b = a pi" for example. pi and e are the only vars built in.Around ...

More accurate sum

Built-in "sum" function, as well as add.reduce functions in Numeric/numarray introduce a large error when summing large arrays of like elements. This script contains a function that makes sums with error less than 1e-15. It doesn't use any additional memory (although it destroys the data array), and also runs asymptotically faster for unlimited precision ...
Python

NumPy

The fundamental package needed for scientific computing with Python is called NumPy.  This package contains: - a powerful N-dimensional array object - sophisticated (broadcasting) functions - basic linear algebra functions - basic Fourier transforms - sophisticated random number capabilities - tools for integrating Fortran code. Besides ...
Python

Open Babel

... convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.That means that ... - A complete programmer's toolkit to allow easy chemistry software development ...

PHP Stats

... the fields of medicine, computer science, economics, psychology, chemistry, physics and many more. Statistics allow people to better understand why things change and how certain factors affect these changes. Overall statistical analysis is necessary to understand any type of number data. The goal of PHP Stats is to become a ...

PHPBTTracker

... Peer caching - Saves resource usage by doing calculations for peers when they initially connect and stores the calculations in the database. This allows the scripts to simply read the database and output to peers with little processing involved. - Compact protocol - ...

Probe Deeper PHP

Probe Deeper PHP will provide class libraries for simple and advanced statistical analyses, including multiple regression, forecasting, hypotheses testing, etc. ...

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 instruments ...
Python

Pytz

... This library allows accurate and cross platform timezone calculations using Python 2.3 or higher. It also solves the issue of ambiguous times at the end of daylight savings, which you can read more about in the Python Library Reference (datetime.tzinfo). ...
Python

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