76 programs for "dxvk-2.0" with 2 filters applied:

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  • 1
    The Sashimi project hosts the Trans-Proteomic Pipeline (TPP), a mature suite of tools for mass-spec (MS, MS/MS) based proteomics: statistical validation, quantitation, visualization, and converters from raw MS data to the open mzML/mzXML formats.
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    Downloads: 46 This Week
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  • 2
    mzMatch is a Java collection of small commandline tools specific for metabolomics MS data analysis. The tools are built on top of the PeakML core library, providing mass spectrometry specific functionality and access to the PeakML file format.
    Downloads: 7 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: 2 This Week
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  • 4
    ED Software project contains several programs used (mostly) for processing gas-phase electron diffraction (GED) experimental data.
    Downloads: 0 This Week
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  • 5
    LAMMPS

    LAMMPS

    Large-scale Atomic/Molecular Massively Parallel Simulator

    LAMMPS is a classical molecular dynamics simulator designed for parallel machines. It can model atomic, polymeric, biological, metallic, or mesoscale systems using a variety of force fields and boundary conditions and is easy to modify or extend.
    Downloads: 2 This Week
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  • 6
    Toxtree: Toxic Hazard Estimation

    Toxtree: Toxic Hazard Estimation

    Toxicity prediction for chemical compounds

    A GUI application which estimates toxic hazard of chemical compounds. The latest version includes the following toxicity prediction modules: -Cramer rules (oral toxicity) -Toxicity mode of action via Verhaar scheme -Skin irritation and Eye irritation prediction -Benigni / Bossa rulebase for mutagenicity and carcinogenicity prediction -START biodegradation and persistence prediction -Skin sensitisation reactivity domain -Kroes TTC Decision tree -SMARTCyp - Cytochrome P450-Mediated...
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    Downloads: 150 This Week
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  • 7

    The Chemicals Database

    An Open Source "product catalogue" that is customizable and versatile.

    The Chemicals Database is a simple yet effective approach to track a stock of products. It provides a "product catalogue" that is accessible from any workplace over Intranet (http) and the server can be operated "in the cloud". Although this documentation deals in particular with a stock of chemicals in a laboratory, it can easily be adapted to any other "items" such as samples, spare parts, tools and other inventory. The software does not rely on a proprietary "solution" but employs...
    Downloads: 0 This Week
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  • 8
    bruread is a program to read and display NMR data in the Bruker XWIN-NMR format. The program has a command-line interface and a graphic display based on gnuplot. - Note that this is only an NMR spectrum *viewer*, not a full-fledged data evaluation suite
    Downloads: 0 This Week
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  • 9
    hr ("High Resolution") is a small command-line utility to calculate possible elemental compositions for a given mass. It allows to run calculations interactively, in batch mode, via the command line, or (using a webserver) via a web interface.
    Downloads: 0 This Week
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  • 10
    PolyJen: Polymerization in a digital laboratory
    Downloads: 0 This Week
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  • 11
    QMForge reads output from various quantum mechanical calculations and provides tools for analyzing these results. Specifically, population (Mulliken and C-squared), fragment, and charge decomposition analyses are available. See https://qmforge.net for more info.
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    Downloads: 3 This Week
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  • 12

    biOP

    biOP [bio~ObjectPascal/bio~Delphi] bioinformatics libraries

    Downloads: 0 This Week
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  • 13

    Collaborative Computing Project for NMR

    Collaborative Computing Project for NMR (CCPN)

    The Collaborative Computational Project for NMR (CCPN) provides tools and knowledge to maximise the impact of the biological NMR studies. The CCPN software facilitates data analysis and software integration. The project actively promotes the exchange of knowledge and provides training and best practices for the NMR community. CCPN also has a leading role in the development of a NMR data-sharing standard and coordination of NMR instrumentation proposals for RCUK and BIS. The 28 partners of...
    Downloads: 0 This Week
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  • 14

    The Wily DNA Editor

    a tool to master DNA sequences, plasmids and restriction digests

    The Wiley DNA Editor is a simple tool to handle DNA sequence information up to 100 kbp using java script in your browser window. The main idea is to install nothing but start cloning. Here we handle the development and the bug reports. The Wiley DNA Editor can be used from our homepage - or the files available in the download section.
    Downloads: 0 This Week
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  • 15
    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: 6,771 This Week
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  • 16
    aisconvert
    Toolkit for processing genetic data. Currently supports (command-line): Half-IBD (Identity by descent) aka HIRs - between 2 or any number of files (in distances and cM); RAW2PED, PED2RAW conversions; regions of homozygousity and other converters.
    Downloads: 0 This Week
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  • 17
    MZmine 2

    MZmine 2

    A framework for differential analysis of mass spectrometry data

    MZmine 2 is a framework written in Java for differential analysis of mass spectrometry data.
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    Downloads: 34 This Week
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  • 18
    SketchEl
    Chemical structure sketching tool, for use with various cheminformatics applications. Convenient to use and moderately sophisticated. Suitable for viewing, creating and editing MDL MOL files.
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    Downloads: 15 This Week
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  • 19
    Java class libraries for structural biology development: includes protein format conversion tool, printf-based text formatting, Pred2ary secondary structure prediction, neural net library, Hooke-Jeeves global optimizer, and misc. math & statistics.
    Downloads: 0 This Week
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  • 20
    adLIMS

    adLIMS

    adLIMS: a Laboratory Information Management System with ADempiere

    Many biological laboratories dealing with genomic samples are facing the problem of sample tracking, both for pure laboratory management and efficiency, and for internal policies, such as Good Laboratory Practices (GLP). Our laboratory exploits PCR techniques and next-generation sequencing (NGS) methods, to perform high-throughput integration site monitoring in different clinical trials and scientific projects, based on the delivery of therapeutic genes by viral vectors integrating into the...
    Downloads: 0 This Week
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  • 21

    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: 1 This Week
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  • 22
    The BioNLP UIMA Component Repository provides UIMA wrappers for novel and well-known 3rd-party NLP tools used in biomedical text prosessing, such as tokenizers, parsers, named entity taggers, and tools for evaluation.
    Downloads: 0 This Week
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  • 23
    ProbeMaker is a framework for design of sets of oligonucleotide probes. It allows the design of different types of probes made up of separate sequence elements. A Plug-in mechanism allows extension of the framework with new functionalities.
    Downloads: 5 This Week
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  • 24

    nwbas2ecce

    nwbas2ecce converts nwchem basis set files to the ECCE format

    The basis sets included with ECCE have -- as far as I can tell -- not been updated for many years. In addition, many of the newer basis sets that come with nwchem aren't included, such as the def2- series. nwbas2ecce is a python script that aims to automate as much as possible of the conversion process of a nwchem basis set file into the files necessary for ECCE to included it in the basis set tool. The process isn't completely automatic, but I also believe that it shouldn't be to...
    Downloads: 0 This Week
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  • 25
    GSim - tool for NMR spectroscopy
    GSim - free software tool for visualisation and processing of experimental and simulated nuclear magnetic resonance (NMR) spectra.
    Downloads: 2 This Week
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