Showing 12 open source projects for "work"

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  • 1
    Avogadro

    Avogadro

    An intuitive molecular editor and visualization tool

    Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture.
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    Downloads: 1,156 This Week
    Last Update:
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  • 2
    Facyt-quimicomp
    Software and codes created in "Laboratorio de Química Computacional" of "Facultad de Ciencias y Tecnología" of "Universidad de Carabobo"
    Downloads: 8 This Week
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  • 3

    DEEP

    Differential Evolution Entirely Parallel Method

    ...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. RPMs are available at https://build.opensuse.org/project/repositories/home:mackoel:compbio This work is supported by RNF Grant 14-14-00302 and by “5-100-2020” Program of the Russian Ministry of Education and Science. The previous funding included SYSPATHO FP7 project №260429, RFBR grants 10-01-00627-a, 11-01-00573-a, 11-04-001162-a and State Contract with Russian Ministry of Science №14.740.11.0166 and №11.519.11.6041
    Downloads: 0 This Week
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  • 4
    sciNote

    sciNote

    Open source electronic lab notebook (ELN) for scientists

    sciNote is an open source electronic lab notebook (ELN) that helps you manage your laboratory work and stores all your experimental data in one place. sciNote is specifically designed for life science students, researchers, lab technicians and group leaders.
    Downloads: 6 This Week
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  • 5
    chemfiles

    chemfiles

    Modern library for chemistry file reading and writing

    ...Running simulations produce enormous amounts of data, which has to be post-processed to extract physical information about the simulated system. Chemfiles provides an interface to access this information which is - unified: the same code will work with all the supported formats; - simple: the interface is easy to use and extensively documented. This is only a mirror of the main repository, development of chemfiles happens on Github, at https://github.com/chemfiles/chemfiles/
    Downloads: 0 This Week
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  • 6
    datasw

    datasw

    datasw, a tool for rapid processing of HPLC-SAXS data.

    ...The program DATASW performs averaging of individual data frames from HPLC-SAXS experiment using a sliding window of a user-specified size, calculates overall parameters (I(0), Rg, Dmax and MW) and predicts the folding state (folded/unfolded) of the sample. Applications of DATASW are illustrated for several proteins with various oligomerization behaviors recorded at different beamlines. If you use DATASW in your work, please, cite: Shkumatov A.V. & Strelkov S.V. (2015) Acta Cryst. D71, 1347–1350
    Downloads: 0 This Week
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  • 7

    REDO

    REDO - RNA Editing Detection in Organelle

    REDO is a comprehensive application tool for identifying RNA editing events in organelles based on variant call results (VCF files). It is a suite of Perl scripts and can work easily and directly in any operating system installed Perl and R Environment. The stringent rule depended filters and statistical filters are used in REDO for reducing false positive rate. It can provide detailed annotations, statistics and figures for RNA editing sites. REDO also can detect RNA editing events in multiple samples simultaneously and identify differential proportion of RNA editing events in different samples. ...
    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. If you use orbkit in your work, please cite it as follows: Gunter Hermann, Vincent Pohl, Jean Christophe Tremblay, Beate Paulus, Hans-Christian Hege, and Axel Schild, "ORBKIT: A Modular Python Toolbox for Cross-Platform Postprocessing of Quantum Chemical Wavefunction Data", J. Comput. Chem. 2016, DOI: 10.1002/jcc.24358. orbkit's documentation can be found at http://orbkit.github.io/
    Downloads: 0 This Week
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  • 9
    RErun

    RErun

    Create virtual DNA/RNA agarose gels

    RERun is a software tool for creating virtual agarose electrophoresis gels of nucleic acid fragments (restriction digests, PCR amplicons, etc). It is written in Perl and developed on Linux, although it can be made to run on Windows with some work (undocumented).
    Downloads: 0 This Week
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  • 10

    IQuant

    A pipeline for quantitative proteomics based upon isobaric tags

    ...It integrates post-processing tool of protein identification and advanced statistical algorithms to process the MS/MS signals generated from the peptides labeled by isobaric tags for quantification. IQuant can run from a graphical user interface (GUI) as well as a command-line interface and work with both Windows and Linux system. This website contains the IQuant software, an example data labeled by iTRAQ-8plex for testing and a user's manual. If you have any question about IQuant, please contact me: wenbo@genomics.cn. The source code of IQuant can be found here "https://sourceforge.net/p/iquant/code/".
    Downloads: 0 This Week
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  • 11

    Autmated Peptide Screening

    Screening peptides for MHC and/or MHC-T cell receptor affinity

    ...A detailed method for determining the peptide ligand for any sequenced and modeled T cell receptor will be published and link added at some point. These scripts are written quickly in a couple weeks to meet a task and could be re-written more eloquently. I may or may not work on this project again, the goal would be to introduce amino acids into any protein in openCL to allow automated design on GPU's.Limits-The standard PDB codes used slightly modified, proline not at angles, peptide shld be linear,
    Downloads: 0 This Week
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  • 12
    FunctSNP is an R interface to an SQL database for linking single nucleotide polymorphisms (SNPs) to functional knowledge. FunctSNP should work on any OS on which R runs.
    Downloads: 0 This Week
    Last Update:
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