Showing 639 open source projects for "open-lates"

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  • 1

    ASEP

    Monte Carlo Simulations of Asymmetric Exclusion Processes

    Monte Carlo simulations of various classes of asymmetric exclusion processes (ASEP) with open and periodic boundaries. ASEP is a paradigmatic model of non equilibrium statistical mechanics. It can be utilized to model various non-equilibrium phenomena in Biology such as molecular motor transport and protein synthesis. The code's comments will be gradually expanded upon; if there are mistaken or unclear comments they will be corrected. We cannot give an estimation as to when because...
    Downloads: 0 This Week
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  • 2

    IQuant

    A pipeline for quantitative proteomics based upon isobaric tags

    IQuant is an automated 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...
    Downloads: 1 This Week
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  • 3
    piv_clustering

    piv_clustering

    structural clustering of atomic trajectories based on PIV

    This program allows to perform a structural cluster analysis of atomic trajectories obtained, e.g., from molecular dynamics simulations. At variance with other approaches, it is possible to analyse also processes in solution, e.g., chemical reactions in liquid water, since the distance metric is based on a Permutation Invariant Vector (PIV) that is symmetric under exchange of identical atoms or molecules, including on the same footing both solute and solvent degrees of freedom. The...
    Downloads: 0 This Week
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  • 4

    Open Steam

    Open Office / Libre Office Steam tables

    An attempt to generate steam properties functions for Open Office / Libre Office use the Freesteam libraries. At present, the project is in its infancy.
    Downloads: 0 This Week
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  • 5
    xeo is a free (GPLv3) open project management for nanostructures using Java
    Downloads: 0 This Week
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  • 6
    OPEN GENERAL SCIENTIFIC INTERFACES
    OPEN GENERAL SCIENTIFIC INTERFACES homepage : http://www.opengsi.org
    Downloads: 0 This Week
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  • 7
    SpectraScan loads images from scanned curves and exports the pixel coordinates of the curve in csv format. This program is especially for scans of ESR or other spectra, which are to be converted into a computer readable format.
    Downloads: 0 This Week
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  • 8
    A simple software to extract useful data from gaussian log files.
    Downloads: 0 This Week
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  • 9
    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: 16 This Week
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  • 10

    MolSig

    The Stereo Signature Molecular Descriptor

    An algorithm to compute molecular graph descriptors considering the stereochemistry of the molecular structure, based on our previously introduced signature molecular descriptor. The algorithm can generate two types of descriptors, one which is compliant with the Cahn-Ingold-Prelog priority rules, and a faster one based on our previous definition of a directed acyclic graph that isaugmented to a chiral molecular graph.
    Downloads: 1 This Week
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  • 11

    Alchemy Linux

    A linux distribution for chemists

    Alchemy Linux is a Linux distribution (based on Fedora) for chemists (and mathematicians and physicists). This remix comes with a whole set of packages to help with experiments, simulations and publications. (This project is not maintained or endorsed by Red Hat or the Fedora project).
    Downloads: 0 This Week
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  • 12

    WebChemViewer

    A simple program for sharing molecular structures with associated data

    Sharing lists of molecular structures with associated chemical properties is a common task in computer-aided drug design and medicinal chemistry. WebChem Viewer is a simple, free, open-source program that generates HTML-formatted output that can be viewed in any modern web browser, on any operating system (including mobile), without requiring the installation of additional software. The output can also be easily incorporated into existing web pages. WebChem Viewer is released under the FreeBSD...
    Downloads: 0 This Week
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  • 13
    Bika Open Source LIMS/LIS

    Bika Open Source LIMS/LIS

    Web based laboratory information management system

    A web-based LIMS (Laboratory Information Management System) · Built in Plone · Professionally supported · Making waves · bi:ka (Zulu): tell it as it is More information and links to manuals, user forums, support and translations are available at https://www.bikalims.org/support-and-service-provision Bika community: www.bikalims.org Main project sponsor, Bika Lab Systems: www.bikalabs.com Inquiries: lemoene@bikalabs.com
    Downloads: 0 This Week
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  • 14

    Computing with units

    Calculator that takes care of measurement units.

    Java program for computations with values expressed in terms of physical or other units. Supports complicated mathematical expressions and user-defined functions. Invoked from scripts, line command, or as GUI. Extensive units data base.
    Downloads: 0 This Week
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  • 15

    peptide array generator

    small and smart peptide array generator, considering time complexity.

    small and smart peptide array generator, considering time complexity. commercial software is quite costful (500+ euros). this projects aims on creating an open source, free alternative to those software.
    Downloads: 0 This Week
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  • 16
    ePeriodique
    A simple periodic table of elements viewer using elementary and edje.
    Downloads: 0 This Week
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  • 17
    Clip

    Clip

    Interactive program for evaluation of Laue diffraction patterns

    Clip is an interactive program for simulation, indexing and refinement of Laue diffraction images.
    Downloads: 2 This Week
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  • 18
    ABFF
    Project for develop force fields with using ab-initio calculations
    Downloads: 0 This Week
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  • 19

    WISP

    Weighted Implementation of Suboptimal Paths (WISP)

    UPDATE: LATEST VERSION AT http://git.durrantlab.com//jdurrant/wisp Allostery can occur by way of subtle cooperation among protein residues (e.g., amino acids) even in the absence of large conformational shifts. Dynamical network analysis has been used to model this cooperation, helping to computationally explain how binding to an allosteric site can impact the behavior of a primary site often many angstroms away. Traditionally, computational efforts have focused on the most optimal path...
    Downloads: 0 This Week
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  • 20
    Beryllium10
    Beryllium¹º is a program designed to facilitate the creation of group safety data sheets (GSDSs) for hazardous substances and processes. The created GSDSs fulfill the conditions of EG Nr. 1272/2008 (Globally Harmonized System of Classification and Labelling of Chemicals, GHS) and §20 Gefahrenstoffverordnung (German regulation and version of European Union Directive 67/548/EEC: Safety advice concerning dangerous substances and preparations).
    Downloads: 0 This Week
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  • 21

    ID11B Mailin

    Rails based mailin system for ID11B

    A rails based sample mailin system for the ID11B beamline at the Advanced Photon Source
    Downloads: 0 This Week
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  • 22
    Downloads: 0 This Week
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  • 23

    Alcohol Calculator

    Ein Alkohol Rechner

    Dieser Alkohol Rechner gibt dem Nutzer die Möglichkeit ungefähr seinen Alkoholgehalt im Blut zu bestimmen. Alle Angaben des Programms sind natürlich ohne Gewähr und natürlich kann der Alkoholgehalt auch wesentlich höher oder niedriger sein.
    Downloads: 0 This Week
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  • 24

    molconv

    conversion of molecular geometry files

    Downloads: 0 This Week
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  • 25

    AutoMap

    AutoMap is a tool for structural biology and drug design.

    AutoMap takes a series of poses obtained from molecular docking and applies the site, epitope and conformational mapping techniques to the poses to select likely ligand binding modes.
    Downloads: 0 This Week
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