Showing 34 open source projects for "upnp-md"

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  • 1
    OpenFOAM

    OpenFOAM

    The Open Source CFD Toolbox

    OpenFOAM - The Open Source CFD Toolbox. OpenFOAM is a generic, programmable software tool for Computational Fluid Dynamics (CFD). For more information, see: - Main Website: https://openfoam.org - C++ Source Documentation: https://cpp.openfoam.org - Issue (Bug) Tracking: https://bugs.openfoam.org - User Guide: https://cfd.direct/openfoam/user-guide
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    Downloads: 2,687 This Week
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  • 2
    Atomes

    Atomes

    Analysis, visualization, edition of 3D atomistic models

    Atomes is a Free (Open Source) cross-platform software licensed under the terms of the Affero GPL v3+ license. Atoms is a toolbox developed to analyze, to visualize and to create/edit three-dimensional atomistic models. Atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes: - Classical MD : DL-POLY and LAMMPS - ab-initio MD : CPMD and CP2K - QM-MM MD : CPMD and CP2K Atomes is developed by Dr. Sébastien Le Roux...
    Downloads: 27 This Week
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  • 3
    CAMPARI

    CAMPARI

    Software for molecular simulations and trajectory analysis

    We are proud to introduce version 5 of CAMPARI. We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and...
    Downloads: 5 This Week
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  • 4
    loto
    http://loto.sourceforge.net/ hosts 4 projects of free software related to materials science and physics. They are loto, feram, compasses and xtalgrowth.
    Downloads: 1 This Week
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    Desktop and Mobile Device Management Software

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  • 5

    Gait Measurement EMG Step Trigger

    Script to control step-triggered optogenetic pulse delivery.

    Script for Spike2 software to control stimulus delivery using input from an external signal. This script was developed and used in the laboratory of Veronique VanderHorst, MD PhD at Beth Israel Deaconess/Harvard Medical School. Specifically, this script was used to trigger pulses of light that were delivered to animals receiving optogenetic stimulation; the trigger was designed to detect the initiating of stepping by electromyographic activity that was recorded from the tibialis anterior...
    Downloads: 0 This Week
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  • 6

    Gait Analysis Graphical User Interface

    Extracts gait parameters from 120 fps video of mouse walking

    This project enables behavioral scoring of mouse gait using MATLAB. This was developed and used in the laboratory of Veronique VanderHorst, MD PhD at Beth Israel Deaconess/Harvard Medical School. First, a GUI displays videos of mice walking on a custom apparatus and enables the user to manually detect paw position. This data is saved. Additional functions take this spatiotemporal information and extract commonly used gait parameters, which are then exported to a MATLAB structure to be used...
    Downloads: 0 This Week
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  • 7
    PUPIL
    PUPIL (Program for User Package Interface and Linking), is a software environment that allows developers to link quickly and efficiently together multiple pieces of software in a fully automated multi-scale simulation. More specifically, it supports QM/MM MD simulations where the user might choose among any of the different MD engines and QM engines, which are connected to PUPIL as external programs through a tiny specific interface. One of the main advantages here is that the user can use most...
    Downloads: 1 This Week
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  • 8

    Molecular Dynamics Studio

    Molecular Dynamics Cell Construction

    ... the initial MD cell. Modifications to PACKMOL allow the atom type data to be passed through to the MSI2LMP software. MSI2LMP creates a LAMMPS input file based on class I or class II force fields. MSI2LMP was modified to use numerically coded force field data generated by NanoEngineer-1. The MMP file format was extended and integrated into all three software applications. http://www.nanoengineer-1.net http://www.ime.unicamp.br/~martinez/packmol/ http://lammps.sandia.gov/
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    Downloads: 16 This Week
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  • 9

    OpenGrowth

    OpenGrowth is a program which constructs de novo ligands for proteins.

    .../projects/opengrowth/files). OpenGrowthGUI, FOG2.0, and the 3Mer-Screen stand-alone can be found in OpenGrowth_1.0.zip. To prepare new fragments you need BuildingFragments_1.0.1.zip and the scripts for MD simulations are in MD-Scripts_1.0.1.zip. SMoG2016.tar.gz allows to compute a score with the newly developed function (J. Chem. Inf. Mod., http://pubs.acs.org/doi/abs/10.1021/acs.jcim.6b00610). For any questions, please send emails exclusively at opengrowth-discuss@lists.sourceforge.net.
    Downloads: 2 This Week
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  • 10
    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: 0 This Week
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  • 11
    trj_cavity finds protein cavities throughout Molecular Dynamics (MD) simulation trajectories. The program works with files in PDB format, but it also can read/generate GROMACS compatible formats such as XTC. The same project can be compiled as a GROMACS tool or as a standalone version. Installation instructions are provided in the INSTALL file of the project and in https://sourceforge.net/p/trjcavity/wiki/Home/#ffad If you need support using this tool (or report bugs), please post...
    Downloads: 8 This Week
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  • 12
    GEDI: Groundtruthing Editor
    GEDI (Groundtruthing Environment for Document Images) is a highly configurable document image annotation tool. Its basic structure involves two types of files, an Image file, and a corresponding .XML file in GEDI format. LAMP Univ of MD, College Park, MD
    Downloads: 0 This Week
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  • 13
    ProtPOS

    ProtPOS

    Prediction of PROTtein Preferred Orientation on a Surface

    ProtPOS is a self-contained, lightweight, and easy-to-use software package for predicting the preferred orientation of protein on a given surface upon initial adsorption. It searches quickly for the low energy protein poses in all translational and rotational degrees of freedom of the protein with respect to the surface using particle swarm optimization. Each successful run returns the lowest energy orientation of the protein on the surface in PDB format, which is readily used for MD...
    Downloads: 1 This Week
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  • 14
    MD PnP | OpenICE

    MD PnP | OpenICE

    Open Source Integrated Clinical Environment

    As of 2015-06-23, this project may now be found at http://www.github.com/mdpnp/mdpnp. A prototype reference implementation of the standard for the Integrated Clinical Environment (ASTM F2761-2009)
    Downloads: 0 This Week
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  • 15
    Jungle Math

    Jungle Math

    A mathematical skill testing game specially for the kids.

    ... 25 problems. If the girl falls to the bottom then one life is lost. If you lose three life then game is ended. Licence for use: Freeware. You can distribute this program freely. Implementing the idea in different platform/language will strictly prohibited. Developer: Md. Musabbir Al Mamun Contact: musabbir.mamun@gmail.com http://www.facebook.com/musabbir.mamun cell no.+8801726315133 ID: CE-10021, Dept.of CSE, MBSTU. Bangladesh.
    Downloads: 1 This Week
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  • 16

    PyBrella

    Python script to automate umbrella sampling with AMBER

    PyBrella is a script designed to automate the umbrella sampling process, using the AMBER molecular dynamics package.
    Downloads: 0 This Week
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  • 17
    MDcons(Molecular Dynamics consensus)

    MDcons(Molecular Dynamics consensus)

    Interpretation of Biomolecular MD simulations

    MDcons is a tool to analyze conserved contacts during Molecular Dynamics (MD) simulations of Protein, Rna, Dna & Ligand based complexes. The input is either a Molecular Dynamics trajectory or a set of snapshots. The input can also be a single snapshot. The outputs are (1) map of most/less frequently conserved contacts during MD (2) a list of most/less frequently conserved contacts during MD.
    Downloads: 0 This Week
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  • 18

    grcarma

    A Tk frontend to MD trajectories analysis program carma

    Downloads: 0 This Week
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  • 19
    This space is not maintained anymore. If you want to get the latest updates on fpocket refer to https://github.com/Discngine/fpocket. Fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and extract pocket descriptors on a large scale level.
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    Downloads: 17 This Week
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  • 20
    Materials simulation software designed for studying atomic ordering, especially in alloys.
    Downloads: 0 This Week
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  • 21
    HELP TARZAN

    HELP TARZAN

    A mathematical skill testing game specially for the kids.

    .... Homepage: https://sourceforge.net/p/helptarzan Version: 1.0.0 Release date: September 26, 2013 Download info: For play HELP TARZAN you can download any one of them. 'HELP TARZAN 1.0.0 Windows Portable.zip' is Portable(No need to install). 'HELP TARZAN 1.0.0.msi'(You have to install it) Developer: Md. Musabbir Al Mamun Contact: musabbir.mamun@gmail.com http://www.facebook.com/musabbir.mamun cell no. +8801913088885 or +8801726315133 ID: CE-10021, Dept.of CSE, MBSTU. Banglades
    Downloads: 0 This Week
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  • 22

    NIOSH_BViewer

    NIOSH Digital Radiograph Viewer for B Readers

    BViewer Version 1.0p Purpose: Development of viewing software assuring consistent softcopy display and usability in the NIOSH Coal Workers' Surveillance and B Reader Certification Programs. The most recent additions support a general-purpose mode of operation (the installation default) and report form. Installable standard reference images must be licensed by the individual B Reader from the International Labor Organization. NIOSH Contact: David N. Weissman, MD, Director...
    Downloads: 0 This Week
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  • 23
    ODD is a tool for optimal domain decomposition of atomic structure guided by the given molecular dynamics data.
    Downloads: 0 This Week
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  • 24
    Simple Task Execution Manager (STEM) is an OSGi UPnP service that generates events and/or performs actions on UPnP devices and services, when a set of conditions on available UPnP services or devices is evaluated true.
    Downloads: 0 This Week
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  • 25
    MACROMS is a software to model the coastal ocean circulation and fish larvae transport for the USA Mid-Atlantic region, which covers estuaries and continental shelves of NYC, NJ, DE, MD, PA, VA and NC. Rutgers ROMS model is applied for this study.
    Downloads: 0 This Week
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