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280 projects in result set. Projects sorted by: Ranking (Top Ranked First)
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261. The Chemistry Development Kit - The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.

Click here to download.  
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262. The Gavrog Project - "Gavrog" stands for "Generation, Analysis and Visualization of Reticular Ornaments using Gavrog". It is about pretty pictures, solid state chemistry and rather involved mathematics. Think Escher, crystals, Alhambra, soap bubbles.

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263. TheoChemPy - TheoChemPy is a python library providing common functionalities for Theoretical and Computational chemists.

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264. Tools for ab initio calculations - Soft for ab initio and MD simulating of water system. Contains program for ICE: construct ice, specific monte-carlo simulation, proton rearrangement calculations; for PDB-water: calculate rotation energy profile, for Effective Fragment simulations.

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265. Tools for SAXS Simulation - A family of programs for building coarse-grained models (eg. of macromolecules), manipulating them (geometrical transformations and more) and calculating their X-ray scattering patterns (1D and 2D too). Uses PVM for parallelization.

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266. Toxic Hazard Estimation - A GUI application which estimates toxic hazard of chemical compounds. Provides a plugin framework to incorporate different approaches to the estimation. Platform independent (written in Java), with the use of The Chemistry Development Kit.

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267. Vapour Liquid Equilibrium using Java - Vapour Liquid Equilibrium (VLE) is a program written in java for simulation of various VLE calculations like bubble point, dew point, flash point, Pxy and Txy diagrams, etc. It supports user defined methods for activity and fugacity calculations.

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268. Viewmol - Viewmol is a graphical front end for computational chemistry programs. It is able to graphically aid in the generation of molecular structures for computations and to visualize their results.

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269. Vimes - Vimes: Visual interface to materials simulations - An open source, python/Open GL interface to molecular and materials simulation programs

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270. Visual SIMS @ Vienna - A tool for visualization, classification, and quantification of three-dimensional secondary ion mass spectrometry data.

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271. VRML97_Import - The VRML97-Import-Script is a Python-Script, that extends the capabilities of Blender to import VRML97-Files. It supports Blender since version 2.42.

Click here to download.  
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272. WebBabel - WebBabel is a python web application using OpenBabel to convert files from one format to another. It runs under Windows, Mac or Linux on your desktop, workstation or laptop. It uses the Jmol (or Marvin) viewer to show the structures being converted.

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273. wio-gpc - Wio-gpc is a command line driven perl application designed for polymers molecular weight calculations based on chromatographic data. Results of GPC, SEC or GFC analysis can be converted to Mn, Mw and molecular weight distributions (MWD).

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274. XD-shell - XD-shell - is a shell (console) interface to XD program which deals with experimental electron density refinement.

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275. XDrawChem - XDrawChem is a drawing application designed for drawing and analyzing chemical structures and reactions.

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276. xeo - xeo is a free (GPLv3) open project management for nanostructures using Java

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277. XStar - A Collection of STAR/CIF processing libraries and related tools, including sub-projects: AStar, TEStar and others...

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278. XSteam, Water and Steam properties - MS Excel, OOo Calc, Matlab steam and water properties based on IAPWS IF-97 Standard. Provide accurate steam and water properties such as enthalpy from 0-100 bar and 0-2000°C. The perfect tool both for replacing paper tables and for advanced calculations

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279. zephyr - A script-driven measurement automation program for applications involving various measurement instruments and actuators. Supports instruments from Agilent, Eco Physics, ICS Electronics, Keithley, Omega, Teledyne and other manufacturers.

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280. Zodiac - Zodiac is a Molecular Modelling suite for drug design. Its features include support for haptic devices and nintendo wiimote fully undoable command list, MMFF94 implementation, POVRAY output.

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280 projects in result set. Projects sorted by: Ranking (Top Ranked First)
Select a page:   Previous   1   5   10   13   14

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