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Chemistry Algorithms scripts

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 ...

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 PDB ...
Python

Fityk

... variouse optimization methods (standard Marquardt least-square algorithm, Genetic Algorithms, Nelder-Mead simplex), equality constraints, modelling error of x coordinate of points (eg. zero-shift of instrument), handling series of datasets, automation of common tasks with scripts, and more. Requirements: · GTK+ · wxGTK ...

List Generator Monad Combinators

... Haskell has many uses, including parsing and nondeterministic algorithms. This code implements the Monad combinators "bind", "return" and "fail", and the MonadPlus combinators "plus" and "zero". It works with all iterables, and returns a generator rather than a list in order to preserve a lazy semantics. ...
Python

Advas

Advas is a python module which provides algorithms for advanced search. These methods are mainly used ... and linguistics. This package contains: - statistical algorithms - term frequency (tf) - term ... - k-nearest neighbour algorithm (kNN) - stemming algorithms - sound-like methods - a simple descriptor-based ranking algorithm - text search algorithms The documentation describes each function with its purpose, ...
Python

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

Sglib

... concatenation, reverse or sort for lists. Sglib provides algorithms, not data structures. Algorithms implemented in Sglib operate on user's types, for example, list macros are operational for any data structure containing a pointer to the same type. ...

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 ...

Modular toolkit for data processing

... (MDP) is a Python data processing framework. Implemented algorithms include: Principal Component Analysis (PCA), Independent Component Analysis ... of a collection of trainable supervised and unsupervised algorithms or other data processing units (nodes) that can ... the flow. This structure allows to specify complex algorithms as a sequence of simpler data processing steps ...
Python

A general solution of Eight Queens

This script is a general method to figuren out all solutions of eight queens. Certainly, it can also solve any number of queens. Each solution is a list, and each value of the list represents the column number, at the same time the index of this value represents it's row number. For instance, ...
Python

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