C++ Molecular Science Software

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Browse free open source C++ Molecular Science Software and projects below. Use the toggles on the left to filter open source C++ Molecular Science Software by OS, license, language, programming language, and project status.

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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: 689 This Week
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  • 2
    Bowtie, an ultrafast, memory-efficient short read aligner for short DNA sequences (reads) from next-gen sequencers. Please cite: Langmead B, et al. Ultrafast and memory-efficient alignment of short DNA sequences to the human genome. Genome Biol 10:R25.
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    Downloads: 350 This Week
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  • 3
    The SourceForge OpenRasMol project is an adjunct to the RasMol and OpenrasMol project at http://rasmol.org. It is hoped that the SourceForge OpenRasMol project will provide a convenient focal point for active collaborative contributions.
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    Downloads: 433 This Week
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  • 4
    OpenCFU

    OpenCFU

    An application to count bacterial colonies and other circular objects

    OpenCFU is a completely open source lightweight application designed to enumerate clustered circular objects such as bacterial colonies. It can handle digital pictures as well as live stream from a video device/webcam. OpenCFU is cross-platform, fast, reliable and allows the user to implement intuitive filters. Additional information is provided on the website: http://opencfu.sourceforge.net/ OpenCFU is published on PLoS ONE: http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0054072
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    Downloads: 104 This Week
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  • 5
    Bowtie 2

    Bowtie 2

    A fast and sensitive gapped read aligner

    Bowtie 2 is a fast, memory-efficient genomic read aligner used to map sequencing reads against long reference sequences such as mammalian genomes. It is especially effective for reads ranging from around 50 bases to hundreds or thousands of characters, and it supports modern sequencing workflows that require gapped, local, and paired-end alignment. The tool builds compact FM-index-based reference indexes, keeping memory usage low even for large genomes like the human genome. Bowtie 2 outputs alignments in SAM format and includes companion utilities for building and inspecting indexes. It is widely used in bioinformatics pipelines for RNA-seq, DNA-seq, metagenomics, variant analysis, and other sequencing-based research tasks. Overall, Bowtie 2 remains a foundational command-line tool for high-throughput sequence alignment and reproducible computational biology workflows.
    Downloads: 3 This Week
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  • 6
    ShelXle

    ShelXle

    ShelXle is a Qt GUI for SHELXL

    ShelXle combines an editor with syntax highlighting for the SHELXL-associated .ins (input) and .res (output) files with an interactive graphical display for visualization of a three-dimensional structure including the electron density (Fo) and difference density (Fo-Fc) maps. See J. Appl. Cryst. (2011). 44, 1281–1284. for details.
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    Downloads: 43 This Week
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  • 7

    Molecular Dynamics Studio

    Molecular Dynamics Cell Construction

    This is a collection of software modifications created to integrate NanoEngineer-1, PACKMOL and MSI2LMP for the purpose of easily creating molecular dynamics cells. NanoEngineer-1 is a molecular CAD software written by Nanorex and provides the user an easy way to create molecules, while the software modifications allow the user to type atoms using multiple force fields. PACKMOL can generate a random collection of molecules using the molecule templates from NanoEngineer-1 thus providing the initial MD cell. Modifications to PACKMOL allow the atom type data to be passed through to the MSI2LMP software. MSI2LMP creates a LAMMPS input file based on class I or class II force fields. MSI2LMP was modified to use numerically coded force field data generated by NanoEngineer-1. The MMP file format was extended and integrated into all three software applications. http://www.nanoengineer-1.net http://www.ime.unicamp.br/~martinez/packmol/ http://lammps.sandia.gov/
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    Downloads: 42 This Week
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  • 8
    RDKit

    RDKit

    Open-Source Cheminformatics and Machine Learning

    A collection of cheminformatics and machine-learning software written in C++ and Python. NOTE: the RDKit source code and downloads are now in github: https://github.com/rdkit/rdkit The core algorithms and data structures are written in C++. Wrappers are provided to use the toolkit from either Python or Java. Additionally, the RDKit distribution includes a PostgreSQL-based cartridge that allows molecules to be stored in relational database and retrieved via substructure and similarity searches.
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    Downloads: 13 This Week
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  • 9
    Molsketch

    Molsketch

    2D molecule editor

    Molsketch is a 2D molecular editing tool. Its goal is to help you draw molecules quick and easily. Of course you're creation can be exported afterwards in high quality in a number of vector and bitmap formats.
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    Downloads: 20 This Week
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  • 10
    Facyt-quimicomp
    Software and codes created in "Laboratorio de Química Computacional" of "Facultad de Ciencias y Tecnología" of "Universidad de Carabobo"
    Downloads: 33 This Week
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  • 11
    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: 29 This Week
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  • 12
    SeaBreeze

    SeaBreeze

    Open-source cross-platform spectrometer device driver

    SeaBreeze is a device driver library that provides an interface to select Ocean Optics spectrometers. It is written in C/C++ and builds and runs on Windows (XP/7/8), MacOSX, and Linux (x86/x64/ARM).
    Downloads: 12 This Week
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  • 13
    Ascalaph Designer

    Ascalaph Designer

    Graphic molecular dynamic package.

    Molecular Graphics, Molecular Dynamics, Optimization, Quantum chemistry. Molecular model building. Explicit and implicit water models. http://www.biomolecular-modeling.com/Products.html
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    Downloads: 3 This Week
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  • 14
    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 analyzing molecular simulations, in particular of systems of biological relevance. It focuses on a wide availability of algorithms for (advanced) sampling and is capable of combining Monte Carlo and molecular dynamics in seamless fashion. CAMPARI offers the user a very high level of control over all implemented features. For more information and features, please refer to the project's homepage at http://campari.sourceforge.net/V5
    Downloads: 3 This Week
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  • 15
    ESBTL (Easy Structural Biology Template Library) is a lightweight C++ library that allows the handling of PDB data and provides a data structure suitable for geometric analysis and advanced constructions.
    Downloads: 6 This Week
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  • 16
    GSim - tool for NMR spectroscopy
    GSim - free software tool for visualisation and processing of experimental and simulated nuclear magnetic resonance (NMR) spectra.
    Downloads: 1 This Week
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  • 17
    PyMOlyze is a graphical program to analyze the results of quantum chemistry (HF/DFT) calculations. Features include various population analyses, fragment analysis, monitoring structures during an optimization, and a simple, but powerful, XYZ editor.
    Downloads: 4 This Week
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  • 18

    Virtual Cell

    Former home of the Virtual Cell platform (VCell), see http://vcell.org

    This project and all source code has moved to GitHub, see https://github.com/virtualcell
    Downloads: 3 This Week
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  • 19

    sdmixer

    A tool for 2D/ 3D multi-color super resolution microscopy

    The open source software sdmixer reconstructs a TIFF image from a single molecule localization data set. The spectral demixing option allows multi color super resolution microscopy. sdmixer supports multipage TIFF images and is able to process large 3D data sets. Further features are 2D/3D convolution, histogram based contrast enhancement and nearest neighbor analysis.
    Downloads: 3 This Week
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  • 20
    ED Software project contains several programs used (mostly) for processing gas-phase electron diffraction (GED) experimental data.
    Downloads: 2 This Week
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  • 21
    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: 2 This Week
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  • 22
    NOC is a open source development toolkit and a powerful molecular explorer for protein structure visualizing,analysis,crystallographic mapping, modeling, and refinement, Gromacs/Amber MD trajectories displaying,movie making...
    Downloads: 2 This Week
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  • 23
    RDML-Ninja is an editor for qPCR data. It is the reference implementation for the RDML data standard allowing to visualize, edit and reanalyze qPCR data.
    Downloads: 2 This Week
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  • 24

    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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  • 25

    sdsorter

    Easy manipulation of sdf molecular data files.

    sdsorter provides convenient routines for manipulating the contents of sdf molecular data files based on the embedded sd tags.
    Downloads: 2 This Week
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