Showing 12 open source projects for "version 2"

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  • 1
    freesteam
    Open source steam property routines in C. Implements the IAPWS-IF97 steam tables from the International Association for the Properties of Water and Steam. Includes two-way property solvers and test suite. Can be used from C/C++, Fortran, Python, LabVIEW, Octave and ASCEND.
    Downloads: 5 This Week
    Last Update:
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  • 2

    CRP - Chemical Reaction Prediction

    Predicting Organic Reactions using Neural Networks.

    ...This Graphical User Interface takes simplified molecular-input line-entry system (SMILES) as an input and generates the product SMILE & molecule. Beam search is used in Version 2, to generate top 5 predictions. Maximum input length for the model is 15 (excluding spaces).
    Downloads: 1 This Week
    Last Update:
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  • 3

    f90lafg

    Diffraction related calculations in Fortran 2003

    full snapshots of CRYSFML code and parts of SXTALSOFT code
    Downloads: 0 This Week
    Last Update:
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  • 4
    pyisocalc

    pyisocalc

    Isotopic pattern calculator in python 2.x

    This is an isotopic pattern calculator written in python. It depends on re, sys, numpy, operator, itertools, and matplotlib.
    Downloads: 0 This Week
    Last Update:
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  • 5
    A tool for visualization, classification, and quantification of three-dimensional secondary ion mass spectrometry data.
    Downloads: 0 This Week
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  • 6
    Sudsy is a saponification calculator coded in Python. The CLI works fine, but the PyGTK version still needs some work...The interface is designed and it starts up, but some of the callbacks still need to be implemented. Let me know if you can help.
    Downloads: 0 This Week
    Last Update:
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  • 7
    This project going to develop a thermodinamical server for chemical simulation, equip design, scientific module for other aplication or chemical education. Also the thermo server is developed to complete the project of chemical simulation Sim42.Spanish
    Downloads: 0 This Week
    Last Update:
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  • 8
    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).
    Downloads: 1 This Week
    Last Update:
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  • 9
    A drawing program for chemical structure formulas, in the vein of chemtool, BKChem, EasyChem, or Xdrawchem.
    Downloads: 0 This Week
    Last Update:
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  • 10
    CT8K is an experimental quantum chemistry program intended to bring state of the art methods to the desktop PC
    Downloads: 0 This Week
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  • 11
    this is a small project which provides several mathematical function useful for a chemist or somebody working with mass specs. The goal is to provide several cuda and c based functions which can be easily accessed using java, groovy and python.
    Downloads: 0 This Week
    Last Update:
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  • 12
    Software package for stochastic and hybrid simulation of microtubule dynamics and the effects of anti-mitotic drugs and microtubule regulatory proteins.
    Downloads: 0 This Week
    Last Update:
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