16 projects for "ab" with 2 filters applied:

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  • 1
    Updated 2022-06-11 added option to allow use of atoms other than C-alpha Updated 2021-11-29 to enable compilation on stricter compilers. Ab Initio protein structure prediction methods generate numerous structural candidates, which are referred to as decoys. Calibur is an efficient tool for finding the decoy with the most number of neighbors within a threshold distance. If you prefer to use GitHub, go to https://github.com/kalngyk/calibur
    Downloads: 1 This Week
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  • 2
    pyxaid

    pyxaid

    PYthon eXtension for Ab Initio Dynamics

    Downloads: 0 This Week
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  • 3
    EVidenceModeler (aka EVM) combines ab initio gene predictions and spliced protein and transcript alignments into weighted consensus gene structure predictions.
    Downloads: 0 This Week
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  • 4

    ANT.1D

    Quantum transport for tight-binding and ab initio Hamiltonians

    ANT.1D is a stand-alone quantum transport code for essentially one-dimensional setups described by tight-binding or ab initio Kohn-Sham Hamiltonians obtained from other codes working with atomic basis sets (Gaussian, Crystal,SIESTA). Interfaces with Crystal and Gaussian codes are available. Electrodes are described either by nanowires of finite thickness or Bethe lattice electrodes.
    Downloads: 0 This Week
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  • 5
    Gecko Hamaker

    Gecko Hamaker

    Calculates Hamaker coefficient,interaction free energy,force,torque.

    ...The machine-readable optical property database is available for download and as a web service and makes available the full spectral optical properties of over 150 materials from both ab initio calculations and experimental measurements.
    Downloads: 1 This Week
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  • 6

    The CCP1GUI

    An extensible GUI for computational chemistry codes

    The CCP1GUI project aims to develop a free, extensible Graphical User Interface to various computational chemistry codes developed by the worldwide academic community, with an emphasis on ab initio Quantum Chemistry codes.
    Downloads: 0 This Week
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  • 7
    ABFF
    Project for develop force fields with using ab-initio calculations
    Downloads: 0 This Week
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  • 8
    DAWGPAWS
    DAWGPAWS is a suite of command line programs written in Perl that accelerates annotation of genes and transposable elements in plant genomes by automating the process of running annotation programs and facilitating combined evidence annotation curation.
    Downloads: 0 This Week
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  • 9

    psicode

    An open-source quantum chemistry program package

    PSI is an open-source program for computing molecular properties using high-accuracy, ab initio, quantum mechanical models.
    Downloads: 2 This Week
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  • 10
    (AB)² Simulation

    (AB)² Simulation

    Simulation for Physics / Bilogics Systems

    Supports flow Simulation for Physics and Meso-Compartimental Simulations for Biological Systems. Uses a Container-Flow based System.
    Downloads: 1 This Week
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  • 11
    Fast Alignment Search Tool for di-base reads (color-space; AB SOLiD). A complementary program for the popular Illumina read mappers mrFAST and mrsFAST.
    Downloads: 0 This Week
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  • 12
    The ab initio Spinor Project is a scientifc code project based on density functional theory (DFT) within the ab initio pseudopotential frame work. The code implements the fundamental Kohn-Sham functions in form of two-component spinors, hence allowing to
    Downloads: 0 This Week
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  • 13
    A linguistic tool to aid in the study of Linguistics/Phonology, specifically distinctive features of possible language sounds. Comprised of both a Visual C++ .NET version as well as a Java based web applet version. The C++ version has all but been ab
    Downloads: 0 This Week
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  • 14
    Analysis TeX
    Hier wird die Versionsverwaltung (SVN) für die LaTeX-Mitschrift der Vorlesung "Analysis für Informatiker und Statistiker" gehostet. Diese findet im WS 2009/2010 an der LMU München statt.
    Downloads: 0 This Week
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  • 15
    Soft for ab initio and MD simulating of water system. Contains program for ICE: construct ice, specific monte-carlo simulation, proton rearrangement calculations; for PDB-water: calculate rotation energy profile, for Effective Fragment simulations.
    Downloads: 0 This Week
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  • 16
    FFDev is a suite of utilities for the creation (and deployment) of custom force fields (interaction potentials) for atomistic simulation, derived wholly or in part from ab initio quantum chemistry calculations.
    Downloads: 0 This Week
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