Search Results for "compound"
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Showing 18 open source projects for "compound"
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Aestel
Applications for data management
"Information is data in action", and, consequently, having good quality data is essential. The AESTEL package contains two highly configurable applications for data management: A data loader and a reporting application, i.e. DataLoader and AEREA, respectively. The data loader application applies user-defined instructions to validate, process and load data. The reporting application provides a query builder and spreadsheet template designer. Both applications work with any relational data... -
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VDT - Visual Disk Test : performs I/O tests on files, partitions, and/or disks with visual feedback/follow-up, offering flexible test area selection by size, location, percent, or combinations thereof, plus test duration control by time or size.
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NOTE: Moved to https://github.com/vapier/pcalc Pcalc is a command line calculator handling HEX DEC OCT BIN. It can process a script, save variables to file, full math parser, parentheses, exponential, sin/cos, sqrt, date, inch/mm celsius/f, compound expressions ...
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Tux Math Scrabble
12÷16×3=9÷4
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. -
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Toxmatch
Exploring chemical similarity
...The core functionalities include the ability to compare datasets based on various structural and descriptor-based similarity indices as well as the means to calculate pair wise similarity between compounds or aggregated similarity of a compound to a set. -
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irayMol
Molecular visualization
Analyses and Interactive visualizations of the structures, functions and actions of biomolecules including molecular surface computation, and protein-ligand interface and protein-ligand docking where the ligand could a small compound, a nucleic acid, membrane and other proteins, written in C++/Qt/openGL/GLSL with more than 125,000 lines of codes. In addition to Qt, the only external library needed is GSL everything else is coded from the scratch. -
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We developed a systematic algorithmic solution for quantitative drug sensitivity scoring (DSS), based on continuous modeling and integration of multiple dose-response relationships in high-throughput compound testing studies. License: The DSS R-package is made available under the terms of the GNU General Public License, which means that the source code is freely available for use within other software, but if you alter the code and distribute it, you must make the new source code freely available as well. This software is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY. ...
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FMFilter
Fast Model Based Variant Filtering Tool
...We provide an efficient filtering tool for next generation sequencing data produced by genetic disease studies. FMFilter allows to choose one of the inheritance models (recessive, dominant, compound heterozygous and de novo), the affected and control individuals to design the filtering mechanism. It provides an environment of analyzing these cases by removing the requirement of advanced computer techniques. It has the capability to filter with control individuals and eliminate the majority of the false alarms specific to a population. ... -
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Automatic Compound Processing (AuCoPro)
Automatic compound splitting and semantic analysis of compounds
...Specifically, we will explore the possibility to create new knowledge about closely-related languages, and efficiently develop additional, more advanced resources for (a) compound segmentation; and (b) the semantic analysis of compounds; as such, the project will be divided into two interrelated subprojects, to be executed simultaneously. The focus in this project will be on Afrikaans (with Dutch as the closely-related, well-sourced language), which will lay grounds for future work on other closely-related language pairs. -
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math toolkit
A C++ and Python library for finance, statistics and linear algebra.
A lightweight C++ and Python library for finance, statistics and linear algebra. Finance features include compound rate present/future value, annuity, various present/future value coefficients ... Statistics features include mean, median, variance, standard deviation, covariance, correlation, linear regression, probabilities and random variates of various distributions ... Linear algebra features include matrix arithmetic, inverse, determinant, rank, linear system solution, lu/qr decomposition, svd, eigen values/vectors ... ... -
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ParaSim
Parallelized calculation of molecular similarities
Diversity assessments and comparisons of large compound databases require calculating similarities of millions of compounds in an affordable time. ParaSim addresses this challenge by parallelizing the calculations according to the number of computing cores available on a single machine. It is optimized for the throughput of very large numbers of query structures against very large numbers of reference structures. -
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A GUI to calculate chemical compound characteristics along with their Neutron and X-Ray Scattering Length Densities. Comes as standalone package for Windows, Linux and MacOS (in the future).
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MIPGen
Simple Molecular Interaction Potential Generator in Python
Molecular Interaction Potential Generator MIPGEN is a python program that will calculate Molecular Interaction Potential grids over a given molecule, that could be either a protein or a small organic compound (drug). The output will be a series of grids with DX format (*.dx) that the user will be able to visualize using any Molecular visualization program like VMD, PyMol, Chimera... For more information on dependencies and usage, please read the Documentation. Users are welcome to post any bug or request under BUGS & REQUESTS menu. ... -
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ChiBE
Chisio BioPAX Editor
ChiBE (Chisio BioPAX Editor) is an open source pathway editor for biological pathways in BioPAX format. ChiBE converts BioPAX graphs into process diagrams where complexes and compartments are represented with compound nodes. !!! For latest version, please see !!! http://code.google.com/p/chibe -
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This project is aimed at providing useful thermodynamic tools for biochemists, including formation energy estimation of virtually every biochemical compound and metabolic pathway analysis and profiling.
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Multi-functional batch sequence aligner incorporating Needleman-Wunsch, Smith-Waterman and Oommen-Kashyap algorithms along with compound alignment of secondary sequences.
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...The programs main features are: * Get information about an element * Calculate the amount of moles of an element * Calculate the Empirical and Molecular formulas of a compound
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Verdantium is an OpenDoc-like compound-document framework, and an open-source alternative to frameworks underlying OpenOffice, StarOffice, Corel Office, and Microsoft Office. Written in JUndo / Java JFC/Swing/Java-2D See http://verdantium.blogspot.com/
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