Showing 12 open source projects for "parallel"

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  • 1
    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: 1 This Week
    Last Update:
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  • 2

    DEEP

    Differential Evolution Entirely Parallel Method

    The Differential Evolution, introduced in 1995 by Storn and Price, considers the population, that is divided into branches, one per computational node. The Differential Evolution Entirely Parallel method takes into account the individual age, that is defined as the number of iterations the individual survived without changes. The introduced improvements are: (I) allow several oldest individuals to be overwritten by the same number of best ones in the population, (II) new selection rule uses several objective functions in offspring evaluation. ...
    Downloads: 0 This Week
    Last Update:
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  • 3
    SMASH

    SMASH

    Massively parallel software for quantum chemistry calculations

    ...DFT calculations can be performed on 100,000 CPU cores with high parallel efficiency.
    Downloads: 3 This Week
    Last Update:
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  • 4
    FDMNES powered by sparse solvers

    FDMNES powered by sparse solvers

    The sources and builds history of FDMNES project

    The sources and builds history of FDMNES project (http://neel.cnrs.fr/spip.php?rubrique1007&lang=en ) with parallel sparse solvers moved to github: https://github.com/gudasergey/fdmnes
    Downloads: 3 This Week
    Last Update:
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    Pest Control Management Software

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  • 5
    PF_HP

    PF_HP

    Prediction of proteinfolding in 2D HP model

    ...Eiffel Consultant --------------------- Finnian Reilly: Eiffel code optimization and parallel processing adaptation. www.hex11software.com finnian at eiffel hyphen loop dot com
    Downloads: 0 This Week
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  • 6

    SPARTA

    Direct Simulation Monte Carlo (DSMC) Simulator

    SPARTA is a parallel DSMC code for performing simulations of low-density gases in 2d or 3d. Particles advect through a hierarchical Cartesian grid that overlays the simulation box. The grid is used to group particles by grid cell for purposes of performing collisions and chemistry. Physical objects with triangulated surfaces can be embedded in the grid, creating cut and split grid cells.
    Downloads: 2 This Week
    Last Update:
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  • 7
    Grid-based Coupled Electron and Electromagnetic field Dynamics (GCEED) is an open-source software package for massively parallel first-principles calculations of electron dynamics in real time and real space. The program codes are written in the Fortran 90/95 language with MPI and OpenMP. Time dependent density functional theory (TD-DFT) calculations can be performed on 100,000 CPU cores of K Computer with high parallel efficiency.
    Downloads: 0 This Week
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  • 8
    orbkit (Moved to Github)

    orbkit (Moved to Github)

    A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum

    PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided.
    Downloads: 0 This Week
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  • 9

    openSEQ

    NGS compute distro proloaded with pipeline analysis software

    ...Software included (location - name): path - biobambam path - bwa path - bowtie2 path - bowtie path - cufflinks path - bcftools path - tophat path - scalpel path - samtools path - sra-toolkit path - bamtools path - delly path - delly-parallel path - picard-tools path - fastahack path - twoBitToFa ~/prog/java/ - mutect ~/prog/python/ - platypus ~/prog/java/ - gatk
    Downloads: 0 This Week
    Last Update:
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    Dominate AI Search Results

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  • 10
    MPQC

    MPQC

    Massively Parallel Quantum Chemistry program

    The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
    Downloads: 1 This Week
    Last Update:
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  • 11
    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.
    Downloads: 0 This Week
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  • 12
    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/
    Downloads: 1 This Week
    Last Update:
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