Showing 108 open source projects for "python software"

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  • 1
    PyRx - Virtual Screening Tool

    PyRx - Virtual Screening Tool

    Virtual Screening software for Computational Drug Discovery

    PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process - from data preparation to job submission and analysis of the results. While it is true that there is no magic button in the drug discovery process, PyRx includes docking wizard with easy-to-use user interface which makes...
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    Downloads: 1,954 This Week
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  • 2
    Free DELTA

    Free DELTA

    Software tools for processing taxonomic descriptions in DELTA format

    The Free DELTA Project is a free, open-source, software alternative for a generic system to the processing of taxonomic descriptions based on the DELTA (DEscription Language for TAxonomy) format.
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    Downloads: 311 This Week
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  • 3
    BioXTAS RAW

    BioXTAS RAW

    Processing and analysis of Small Angle X-ray Scattering (SAXS) data.

    BioXTAS RAW is a program for analysis of Small-Angle X-ray Scattering (SAXS) data. The software enables: creation of 1D scattering profiles from 2D detector images, standard data operations such as averaging and subtraction, analysis of radius of gyration (Rg) and molecular weight, and advanced analysis using GNOM and DAMMIF as well as electron density reconstructions using DENSS. It also allows easy processing of inline SEC-SAXS data and data deconvolution using the evolving factor analysis...
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    Downloads: 109 This Week
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  • 4

    biblioAssist

    python3 version of bibus

    python3 version of bibus https://sourceforge.net/projects/bibus-biblio/ It is nothing more than "it works on Debian testing (bookworm) AMD64. "
    Downloads: 0 This Week
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  • 5
    relax

    relax

    Molecular dynamics by NMR data analysis

    The software package 'relax' is designed for the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using...
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    Downloads: 10 This Week
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  • 6

    GromacsProSuite

    Graphical User Interface for Gromacs

    This tool is an integrated graphical interface that simplifies molecular dynamics simulations using Gromacs. It provides a structured, tab-based environment to set up, execute, and analyze simulations data without complex command-line operations. The software automates tasks such as topology generation, solvation, ion addition, minimization, equilibration, and production runs while executing GROMACS commands in the background. Built-in monitoring tracks CPU, RAM, and disk usage to ensure...
    Downloads: 10 This Week
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  • 7
    CemCon

    CemCon

    Automated SMILES-to-optimized 3D molecular structure converter

    CemCon is a desktop application developed for automated batch conversion of SMILES strings into optimized 3D molecular structures. The software is designed to simplify ligand preparation workflows for molecular docking, virtual screening, molecular dynamics simulations, and other Computer-Aided Drug Design (CADD) applications. Developed by Abhijit Reang and Sandip Das under the supervision of Dr. Arabinda Ghosh, Department of Molecular Biology and Bioinformatics, Tripura University,...
    Downloads: 0 This Week
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  • 8

    MetRFinder

    Detection of Heavy Metal Resistance Genes from Bacterial Proteomes

    MetRFinder is a standalone GUI-based bioinformatics tool developed in Python for rapid identification of heavy metal resistance genes from bacterial proteomes. The software integrates DIAMOND BLASTP with BacMet Experimental and BacMet Predicted databases to enable high-throughput screening of protein FASTA files. Users can analyze single or multiple bacterial isolates through an intuitive graphical interface without requiring command-line expertise.
    Downloads: 0 This Week
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  • 9
    Gemi

    Gemi

    PCR primers / probes design from multiple & degenerate sequences

    Gemi, an automated, fast, and easy-to-use bioinformatics tool with a user-friendly interface to design primers and probes for polymerase chain reaction (PCR). Gemi accepts multiple aligned and long DNA and RNA sequences with degenerate nucleotide (non-A/C/G/T bases). Gemi can be used for quantitative, real-time and conventional PCR (qPCR, rt-PCR, etc.), and Sanger sequencing. Gemi can parse large dataset of sequences efficiently. Python source code is available upon request. Milestone:...
    Downloads: 1 This Week
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  • 10
    Croizat

    Croizat

    A software package for quantitative analysis in Panbiogeography

    Croizat is a free, user-friendly, cross-platform desktop software package which biologists can use to integrate and analyze spatial data on species or other taxa and to explore geographical patterns in diversity under a panbiogeographic and graph-theoretic approach.
    Downloads: 1 This Week
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  • 11

    GrowthRates

    Calculate growth rates from microplate reader output

    The Bellingham Research Institute (BRI) develops and distributes software that is free of charge to academic and other non-profit organizations. GrowthRates is our software tool that simplifies the analysis of microplate reader output from microbial growth experiments without having to program in Python, R, or MATLAB. It automates the calculation of growth rate parameters, including rates, lag times, maximum population density.
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    Downloads: 1 This Week
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  • 12
    SBW (Systems Biology Workbench)

    SBW (Systems Biology Workbench)

    Framework for Systems Biology

    The Systems Biology Workbench(SBW) is a framework for application intercommunications. It uses a broker-based, distributed, message-passing architecture, supports many languages including Java, C++, Perl & Python, and runs under Linux,OSX & Win32. It comes with a large number of modules, encompassing the whole modeling cycle: creating computational models, simulating and analyzing them, visualizing the information, in order to improve the models. All using community standards, such as...
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    Downloads: 4 This Week
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  • 13
    MiModD

    MiModD

    Mutation Identification in Model Organism Genomes using Desktop PCs

    MiModD is a software package for genomic variant identification from next-generation sequencing (NGS) data with optimized usage of system resources and a user-friendly interface. For most model organism genomes it lets the user carry out a complete analysis from unaligned genomic NGS read data to an annotated list of variants on a regular Desktop PC within a few hours. Its user-interface is beginner-friendly and designed to encourage geneticists to analyze NGS data themselves without the...
    Downloads: 0 This Week
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  • 14
    LP CSIC/UAB Apps and Code

    LP CSIC/UAB Apps and Code

    Software and Code from Laboratori de Proteòmica CSIC/UAB

    Software, Code and Documents from Laboratori de Proteòmica CSIC/UAB ( LP-CSIC/UAB: http://proteomica.uab.cat )
    Downloads: 0 This Week
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  • 15
    Peptide Vaccine Analysis Tool (PVAT) is an optimization software that predicts the best possible peptide stretches in a given protein sequence based on two factors: 1. the surface exposure of the peptide stretches, and 2. their susceptibility to mutation.
    Downloads: 0 This Week
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  • 16
    bioweb

    bioweb

    polyglot language framework to analyze genetic data

    polyglot framework using Python/C++/JavaScript to fast develop applications to analyze biological sequences
    Downloads: 0 This Week
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  • 17
    CBMPy

    CBMPy

    PySCeS Constraint Based Modelling

    PySCeS CBMPy is a new platform for constraint based modelling and analysis. It has been designed using principles developed in the PySCeS simulation software project: usability, flexibility and accessibility. CBMPy supports the latest standards for encoding CBM models encoding, SBML L3 FBC, COBRA as well as MIRIAM compliant RDF and custom annotations. Its architecture is both extensible and flexible using data structures that are intuitive to the biologist while transparently...
    Downloads: 34 This Week
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  • 18
    APBS

    APBS

    Biomolecular electrostatics software

    This software has moved to http://www.poissonboltzmann.org/.
    Downloads: 0 This Week
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  • 19

    PBTK Optimizer

    Application for optimization of parameters in PBTK models

    Physiologically based toxicokinetic (PBTK) modeling offers great promise in environmental risk assessment, potentially speeding up dose-response studies while minimizing animal testing. Some limitations exist in the PBTK field, such as difficulty of model development and a lack of application specific software tools to help modelers. Some parameters used in PBTK models, such as tissue weights, are easily measure. Other parameters can be determined through in-vitro experiments or through...
    Downloads: 0 This Week
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  • 20
    DEBay

    DEBay

    Deconvolutes qPCR data to estimate cell-type-specific gene expression

    DEBay: Deconvolution of Ensemble through Bayes-approach DEBay estimates cell type-specific gene expression by deconvolution of quantitative PCR data of a mixed population. It will be useful in experiments where the segregation of different cell types in a sample is arduous, but the proportion of different cell types in the sample can be measured. DEBay uses the population distribution data and the qPCR data to calculate the relative expression of the target gene in different cell types in...
    Downloads: 0 This Week
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  • 21
    Open Drug Discovery Toolkit (ODDT)

    Open Drug Discovery Toolkit (ODDT)

    Modular and comprehensive toolkit for use in cheminformatics

    Open Drug Discovery Toolkit (ODDT) is modular and comprehensive toolkit for use in cheminformatics, molecular modeling etc. ODDT is written in Python, and makes extensive use of Numpy/Scipy. You can use any supported toolkit united under common API (for reference see Pybel or Cinfony). All methods and software based on Pybel/Cinfony should be drop-in compatible with ODDT toolkits. In contrast to its predecessors, which were aimed to have minimalistic API, ODDT introduces extended methods and additional handles. ...
    Downloads: 6 This Week
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  • 22
    raxmlGUI
    RELEASE NOTE: Get raxmlGUI 2.0 at the NEW PROJECT LOCATION: https://antonellilab.github.io/raxmlGUI/ raxmlGUI is a graphical user interface to RAxML, one of the most popular and widely used software for phylogenetic inference using maximum likelihood. A userfriendly graphical front-end for phylogenetic analyses using RAxML (Stamatakis, 2006). Please cite: Silvestro, Michalak (2012) - raxmlGUI: a graphical front-end for RAxML. Organisms Diversity and Evolution 12, 335-337. DOI:...
    Downloads: 7 This Week
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  • 23
    D-Tailor

    D-Tailor

    D-Tailor: automated analysis and design of DNA sequences

    Recent advances in DNA cloning and synthesis technologies afford high throughput implementation of designed sequences into living cells. However, our ability to design sequences to interrogate multifactorial biological processes and further engineer biological functions is lagging behind. DNA-Tailor (D-Tailor) is a fully extendable software framework for biological sequence analysis and multi-objective sequence design. D-Tailor permits the seamless integration of an arbitrary number of...
    Downloads: 0 This Week
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  • 24
    CSBB-v3.0

    CSBB-v3.0

    CSBB - Computational Suite for Bioinformaticians and Biologists

    CSBB is a command line-based bioinformatics suite to analyze biological data acquired through varied avenues of biological experiments. CSBB is implemented in Perl, while it also leverages the use of R, java, python and ruby in background for specific modules. Major focus of CSBB is to allow users from biology and bioinformatics community, to get benefited by performing down-stream analysis tasks while eliminating the need to write programming code. CSBB is currently available on Linux,...
    Downloads: 0 This Week
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  • 25
    pySBOL

    pySBOL

    SWIG-Python wrappers for libSBOL

    pySBOL is a SWIG-Python wrapper around libSBOL, a module for reading, writing, and constructing genetic designs according to the standardized specifications of the Synthetic Biology Open Language (SBOL). This page provides binary installers for Windows operating system for Python 2.7 and 3.6. For installation instructions, visit: https://pysbol2.readthedocs.io/en/latest/installation.html For full documentation, visit: https://pysbol2.readthedocs.io/en/latest/index.html
    Downloads: 0 This Week
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