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280 projects in result set. Projects sorted by: Ranking (Top Ranked First)
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1. 3DMolvis - 3DMolvis is a tool designed to make easy learning of basic structure and function of biological molecules.

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2. ABFF - Project for develop force fields with using ab-initio calculations

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3. aCell - a framework to build data-driven models of biological cells

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4. Adaptive Biasing Force - This is an implementation of the adaptive biasing force method (ABF) in NAMD. The code for ABF was developed by Eric Darve, Stanford University. ABF is a method created by E. Darve and A. Pohorille to calculate the free energy of bio-molecules.

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5. Algorithms in Spectroscopy - The aim of the project is to provide open source collection of algorithms in the field of spectroscopy: data handling and processing, modeling and artificial intelligence tools.

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6. Ambit - chemical structures database - AMBIT consists of a MySQL database and functional modules providing storage of chemical compounds and allowing a variety of flexible structure, similarity and other queries. Written in Java, with the use of The Chemistry Development Kit.

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7. Amino Acid Finder - Ever got confused while remembering all the various physical properties of all the standard 20 amino acids? Then use Amino Acid Finder!! It has a built-in database and contains information about all the physical properties and lets you to search them

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8. AMORSS: redox enzymes simulation system - This project is A Mitochondrial OxydoReduction Simulation System. It consists of two linked projects: a program for displaying and analysing large biomolecular systems (Floral) and a multi-agent simulator for biomolecular oxydoreduction systems (AMORSS).

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9. Analytical Data Interchange - This project provides open software for working with analytical instrumentation data using the ASTM "ANDI" standard.

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10. Analytical Information Markup Language - This project supports ASTM E13.15 "Analytical Data Magement" in it's work defining AnIML, an XML standard for representing, managing and interchanging analytical chemistry data.

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11. APBS - APBS is a software package for the numerical solution of the Poisson-Boltzmann equation, a popular continuum model for describing electrostatic interactions between molecular solutes over a wide range of length scales. <http://apbs.sf.net/>.

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12. Ascalaph Graphics - Molecular Dynamics and Molecular Graphics program. Molecular model builder. Interface with the MDynaMix http://www.mmk.su.se/~sasha/mdynamix/

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13. AutoDock Software in Parallel with GPUs - Using the CUDA API this project modifies the AutoDock software to run in parallel on NVIDIA GPUs. Users will be able to download and compile the code and use AutoDock on CUDA capable Graphics Cards. Autodock is located at http://autodock.scripps.edu/

Click here to download.  
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14. Avogadro - Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture.

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15. BasicLife - Basic life is an application that desires to simulate basic life based on some basic chemistry/physics rules. This environment provides particles that can bond, vibrate, react, etc. in order to create basic cells

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16. bc_scatterplot - bc_scatterplot is a scatterplot plugin for the bioclipse project

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17. Bika open source LIS/LIMS - Bika combines web content management and workflow processing for a one-stop web-based LIMS (Laboratory Information Management System) · Built in Plone · Professionally supported · Making waves · bi:ka (Zulu): tell it as it is

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18. BINViz - BINViz(Bidirectional Interactive Network Visualization) is a JavaScript library for network and graph visualization. The goal of this tool is to provide a better way to visualize complex graphical models and the underlying data in a web-based environment

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19. Bioclipse - An open source workbench for chemo- and bioinformatics built on the Eclipse Rich Client Platform (RCP).

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20. Biological Network Analyzer - Workbench for visualizing biological networks (regulatory, interaction, and metabolic). Can be used as a front-end for BN++ databases, but also as stand-alone tool.

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21. BlochLib-a fast NMR toolkit - BlochLib is an expression template library of generic data structures and algorithms to perform large scale nuclear magnetic resonance classical and quantum mechanical spin simulations, with many I/O capabilities,and integrated numerical routines.

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22. bni-tools - The BNI (Beyond Normal Interaction)- Tools is a plug in for the PyMOL molecular visualization system which adds additional functionalities and presets to the PyMOL GUI and also adds useful extended commands.

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23. bruread - bruread is a program to read and display NMR data in the Bruker XWIN-NMR format. The program has a command-line interface and a graphic display based on gnuplot. - Note that this is only an NMR spectrum *viewer*, not a full-fledged data evaluation suite

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24. Burrow-owl - Burrow-owl is a software package for visualizing multidimensional nuclear magnetic resonance (NMR) spectra, with an emphasis on spectra used in macromolecular structure determination.

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25. calibration and maintenance for labs - QMS Application to track control, inspection, measurement and test equipment. It can be used for asset management and CRM. It is primarily for companies and labs adhering to ISO 9001 quality standards. There are plans to add a non-conformance management.

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26. Cantera - Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It can be used from MATLAB, Python, C++, or Fortran.

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27. CARMEL 'CARbon MEchanics Lab' - CARMEL is a suit of parallel codes designed to perform classical molecular dynamics simulations of atomic and ionic systems Potentials : Lennard Jones, Yukawa, Tersoff Bond order Integrators : NPT, NVT, NVE

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28. cca-forum - Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.

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29. cclib - cclib is an open source library, written in Python, for parsing and interpreting the results of computational chemistry packages. It currently parses output files from ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar and PC GAMESS.

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30. ccwatcher - ccwatcher monitors the progress of computational chemistry calculations during runtime. It has both a GUI and a Command Line Interface" to which it parses important output and plots SCF energies. Avogadro plugin capability is planned.

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31. cdfread - cdfread is a program for people wirking with mass spectrometry datasets. cdfread implements the routines to read mass spectra and mass chromatograms from data files in netCDF ("Andi-MS") format. Centroid and profile data are supported.

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32. CDKTools - The Octet-CDK interoperability package.

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33. CellMC - CellMC is a multi-platform XSLT-based SBML compiler producing executable SSA models based on the optimised direct method.

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34. Chamber Interior Ballistics - chamber is a reactive hydrodynamic modeling tool specifically designed for small arms interior ballistics research. Multiple equations of state and burn models are supported. chamber is an adaptation of the BKW, SIN, 2DL and 2DE codes in one package.

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35. CheckCML - The CheckCML project is a collection of modules for the production and checking of chemical experimental data represented as CML. The core CheckCML library provides classes for the checking process; tools such as OscarData allow for the production of CML

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36. Chem Works - Mathematics, Chemistry and Bio-informatics semantic knowledge editor and simulation environment. It should serve as interactive science learning program or science classroom notebook and workshop.

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37. ChemBot - Extensible 3-dimensional chemical reaction modeling tool that utilizes the known scientific rules and theorems to predict complex molecular reactions on an organismal level. Will serve as a starting point for developing a simulated organism.

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38. ChemBuddy - Cocoa/Objective-C chemical analysis and computation program; includes gas laws, solutions/solubility, stoichiometry, periodic tables, et alii.

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39. ChemClipse - Provide the chemical world with a frontend for entering and managing chemical data. This frontend will be made with the Eclipse Rich Client Platform. Additionally a Server component will be developed for storing and retrieving the data.

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40. Chemdraw in LaTeX - Conversion of CdXML files issued by ChemDraw into EPS files easily usable by LaTeX. This project has just been merged into Open Babel, and now consists in the design of an EPS export format for Open Babel. It might be delivered as a standalone as well.

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41. Chemical Calculator - Chemical Calculator that can calculate various aspects of compounds. 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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42. Chemical Descriptors Library (CDL) - CDL provides a generic C++ framework to write algorithms for the calculation of molecular descriptors. CDL provides efficient substructure search, fingerprints and pharmacophore algorithms, and many more for the calculation molecular descriptors.

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43. Chemical Equilibrum - PyChemEq is an Open Source project which goal is to simulate chemical equilibrums. It provides classes (that are the project's "kernel" ) and a user interface using PyGtk and Glade. The whole project will be written in Python.

Click here to download.  
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44. Chemical Evaluation Framework - Chemical Evaluation Framework (CEF) is a molecular structure based software to assist in hazard assessment. Download requires Java 6 update 1. Source code is contained in jar files. Download contains GSH reactivity plugin.

Click here to download.  
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45. Chemical Markup Language - The development and curation of a range of XML-based tools for using Chemical Markup Language (CML), including XSD XML Schemas for validation, datatyping and constraining CML documents and XSLT Stylesheets for transforming, filtering and rendering.

Click here to download.  
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46. Chemical Structures - The Chemical Structures Project is a set of 3D structures of molecules in CML format. Each file contains also some physical properties, which can be access using a web browser or a CML file reader.

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47. chemicalInventory - chemicalInventory is a chemical intelligent tool for managing chemical inventories. Main features: Find chemicals via substructure or text searches. Manage container and shelf locations, check containers in and out or transfer containers between users.

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48. ChemiSQL - The ChemiSQL project intends to federate several open source chemical cartridge projects (Mychem, Orchem and Pgchem). The project provides documentation, examples and an unified graphical user interface for using these chemical cartridge.

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49. Chemistry structure file converters - Collection of scripts converting structure data files into different formats (e.g. CTRL to POSCAR).

Click here to download.  
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50. ChemMap - A Molecular Chemical Viewer using OpenGL and Platform independent provided for the study of Chemicals, including physical, chemical and visual properties.

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280 projects in result set. Projects sorted by: Ranking (Top Ranked First)
Select a page:   1   2   3   4   5   6   Next

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