Showing 8 open source projects for "reaction"

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  • 1
    Web-based Electronic Laboratory Notebook (ELN) with integrated Chemical Inventory by the group of Prof. Goossen (TU Kaiserslautern, Germany), based on PHP/MySQL. Allows (sub-)structure search, reaction planning, management of spectra and literature.
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    Downloads: 143 This Week
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  • 2
    Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
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    Downloads: 85 This Week
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  • 3
    Iphigenie

    Iphigenie

    A fast and versatile molecular dynamics program

    The molecular mechanics (MM) program Iphigenie provides a broad range of molecular dynamics (MD) methods and technologies, including polarizable force fields (PMM), the HADES reaction field, and QM/(P)MM hybrid simulations.
    Downloads: 1 This Week
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  • 4
    STochastic Engine for Pathway Simulation
    Stochastic simulator for signaling pathways occuring in biological cells. Handles reaction-diffusion processes in 3D tetrahedral meshes. Please check our new repository: https://github.com/CNS-OIST/STEPS
    Downloads: 0 This Week
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  • Automated quote and proposal software for IT solution providers. | ConnectWise CPQ Icon
    Automated quote and proposal software for IT solution providers. | ConnectWise CPQ

    Create IT quote templates, automate workflows, add integrations & price catalogs to save time & reduce errors on manual data entry & updates.

    ConnectWise CPQ, formerly ConnectWise Sell, is a professional quote and proposal automation software for IT solution providers. ConnectWise CPQ offers a wide range of tools that enables IT solution providers to save time, quote more, and win big. Top features include professional quote or proposal templates, product catalog and sourcing, workflow automation, sales reporting, and integrations with best-in-breed solutions like Cisco, Dell, HP, and Salesforce.
  • 5
    DRCS (Dimensionless Reaction Coordinate Software) calculates a dimensionless reaction coordinate for chemical reactions that can be used to classify transition states (and other geometries along a reaction path) as either early or late.
    Downloads: 1 This Week
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  • 6
    Moleculizer is a tool for simulating and generating biochemical reaction networks that are specified through a set of rules for protein-protein interactions.
    Downloads: 0 This Week
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  • 7
    Meredys (MEsoscopic REaction DYnamics Simulator) is a particle based stochastic simulation software designed to model and simulate reaction-diffusion systems. (http://www.ebi.ac.uk/compneur-srv/meredys.html)
    Downloads: 0 This Week
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  • 8
    4-Dimensional Cell Simulator (4DiCeS) is a framework on hybrid (stochastic and deterministic) modeling and simulation of (whole) cell environments in 4D. The framework may incorporate any reaction and diffusion algorithms applicable in a 4D grid layout.
    Downloads: 0 This Week
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