Showing 46 open source projects for "python tool"

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    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: 1,765 This Week
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  • 2
    iCn3D

    iCn3D

    Web-based protein structure viewer and analysis tool

    "I see in 3D" (iCn3D) Structure Viewer is not only a web-based 3D viewer, but also a structure analysis tool interactively or in the batch mode using NodeJS scripts based on the npm package icn3d. iCn3D synchronizes the display of 3D structure, 2D interaction, and 1D sequences and annotations. Users' custom displays can be saved in a short URL or a PNG image. The complete package of iCn3D including Three.js and jQuery is in the directory "dist" after you get the source code with the "Code"...
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  • 3
    Hydrogen Bond Analysis Tool (HBAT)

    Hydrogen Bond Analysis Tool (HBAT)

    HBAT 2 is migrated from PERL to Python.

    HBAT(Hydrogen Bond Analysis Tool) is a tool to automate the analysis of hydrogen bonds present in a PDB Structure file. HBAT 2 is migrated from PERL to Python. Latest Documentation: https://hbat.abhishek-tiwari.com/ Web Server Version: http://hbat-web.abhishek-tiwari.com Latest Github Release: http://github.com/abhishektiwari/hbat Citation: Tiwari, A., & Panigrahi, S.
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    Downloads: 0 This Week
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  • 4
    QUAST

    QUAST

    Quality Assessment Tool for Genome Assemblies

    QUAST performs fast and convenient quality evaluation and comparison of genome assemblies. It is maintained by the Gurevich lab at HIPS (https://helmholtz-hips.de/en/hmsb). For the most up-to-date description, please visit http://quast.sf.net. Below are just some highlights. QUAST computes several well-known metrics, including contig accuracy, the number of genes discovered, N50, and others, as well as introducing new ones, like NA50 (see details in the paper and manual). A...
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    Downloads: 14 This Week
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    STRIKER-GUI

    STRIKER-GUI

    Refine the spectral library to enhance its completeness and coverage.

    STRIKER is a tool for correcting spectra with missing or incorrect adduct annotations. It also enables efficient construction of an HMDB-based spectral library and extraction of sublibraries from large spectral libraries.
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  • 6

    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. Manual calculation of those parameters requires at least 5 minutes per well, or 32 hours for a 384 well plate. ...
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  • 7

    CPAT

    RNA coding potential assessment tool

    Using RNA-seq, tens of thousands of novel transcripts and isoforms have been identified (Djebali, et al Nature, 2012 , Carbili et al, Gene & Development, 2011) The discovery of these hidden transcriptome rejuvenate the need of distinguishing coding and noncoding RNA. However, Most previous coding potential prediction methods heavily rely on alignment, either pairwise alignment to search for protein evidence or multiple alignments to calculate phylogenetic conservation score (such as CPC ,...
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    Downloads: 37 This Week
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  • 8

    MAGeCK

    Model-based Analysis of Genome-wide CRISPR-Cas9 Knockout

    Model-based Analysis of Genome-wide CRISPR-Cas9 Knockout (MAGeCK) is a computational tool to identify important genes from the recent genome-scale CRISPR-Cas9 knockout screens technology. For instructions and documentations, please refer to the wiki page. MAGeCK is developed by Wei Li and Han Xu from Dr. Xiaole Shirley Liu's lab at Dana-Farber Cancer Institute/Harvard School of Public Health, and is maintained by Wei Li lab at Children's National Medical Center. We thank the support...
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    Downloads: 78 This Week
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  • 9

    MutaNET

    NGS Pipeline and Automated Mutation Analysis

    MutaNET comes with a next generation sequencing (NGS) pipeline that calls mutations based on paired-end NGS reads, an automated mutation analysis tool and various file converters and mergers. The mutation analysis feature considers the coding region, protein domains, regulation and transcription factor binding site information, and can be used to analyse the potential impact of mutations on antibiotic resistance.
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  • 10
    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.
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  • 11

    MToolBox

    A bioinformatics pipeline to analyze mtDNA from NGS data

    MToolBox is a highly automated bioinformatics pipeline to reconstruct and analyze human mitochondrial DNA from high throughput sequencing data. MToolBox includes an updated computational strategy to assemble mitochondrial genomes from Whole Exome and/or Genome Sequencing (PMID: 22669646) and an improved fragment-classify tool (PMID:22139932) for haplogroup assignment, functional and prioritization analysis of mitochondrial variants. MToolBox provides pathogenicity scores, profiles of genome...
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    Downloads: 13 This Week
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  • 12
    LymPHOS2

    LymPHOS2

    LymPHOS2 Web-App

    LymPHOS2 is a web-based Application at www.LymPHOS.org containing peptidic and protein sequences and spectrometric information on the PhosphoProteome of human T-Lymphocytes. - Nguyen, TD., Vidal-Cortes, O., Gallardo, Ó., Abian, J., Carrascal, M., LymPHOS 2.0: an update of a phosphosite database of primary human T cells. Database 2015, 2015. DOI: 10.1093/database/bav115 - Carrascal, M., Ovelleiro, D., Casas, V., Gay, M., Abian, J., Phosphorylation analysis of primary human T lymphocytes...
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  • 13

    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...
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  • 14
    PBSuite

    PBSuite

    Software for Long-Read Sequencing Data from PacBio

    This currently hosts two projects created and maintained by Adam English. PBJelly - the genome upgrading tool. PBHoney - the structural variation discovery tool Both are contained within the PBSuite code found in downloads. ----- PBJelly ----- Read The Paper http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0047768 PBJelly is a highly automated pipeline that aligns long sequencing reads (such as PacBio RS reads or long 454 reads in fasta format) to...
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  • 15
    LGTmate

    LGTmate

    Lateral Gene Transfer utility

    LGTmate is a simple and powerful bioinformatic software tool to identify lateral gene transfer events and contaminants in Eukaryotic proteomes. It is available as a GUI or command-line application, with no dependencies and no installation required.
    Downloads: 0 This Week
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  • 16
    Copy Number Analysis for Targeted Resequencing (CONTRA) is a tool for copy number variation (CNV) detection for targeted resequencing data such as those from whole-exome capture data.
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  • 17

    SAT-Assembler

    Scalable and accurate targeted gene assembly for large-scale NGS data

    SAT-Assembler is a scalable and accurate gene assembly tool for large-scale RNA-Seq and metagenomic data. It recovers genes from gene families of particular interest to biologists with high coverage, low chimera rate, and extremely low memory usage compared with exiting gene assembly tools. Moreover, it is naturally compatible with parallel computing platforms.
    Downloads: 0 This Week
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  • 18

    ENLY

    Bioinformatic tool to improve draft genome assemblies by closing gaps

    Downloads: 0 This Week
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  • 19
    ChIP-RNA-seqPRO

    ChIP-RNA-seqPRO

    ChIP-RNA-sequencing-processing (ChIP-RNA-seqPRO)

    ChIP-RNA-seqPRO: A strategy for identifying regions of epigenetic deregulation associated with aberrant transcript splicing and RNA-editing sites. Runnable python scripts packaged together with customized annotation libraries, demo data input and README guide. 9/26 : v1.1 Updated MAIN_IV to debug error thrown by python pandas no longer supporting 'subset'. This code will no longer be actively maintained/updated here. A cloud-based resource for comparative analysis of epigenetic,...
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  • 20
    Maximum Common Genome Alignment (MCGA)

    Maximum Common Genome Alignment (MCGA)

    Pipeline for creating core genome alignments for phylogenetic analysis

    Maximum Common Genome Alignment (MCGA) Tool MCGA is a bioinformatics analysis tool written in Python for generating core genome alignment for bacterial whole genome sequences which can be used to construct phylogenetic trees.
    Downloads: 0 This Week
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  • 21

    UniPyRange

    Tool to fetch protein/DNA truncation constructs from Uniprot DB

    Very simple python script which saves you the pains of counting the amino acids/DNA bases in fasta files from the Uniprot and NCBI RefSeq Database (1, 2). Lets say you want the amino acid sequence of range 128-387 from a 1000 amino acid protein - this script will help you to avoid counting mistakes by just showing you the specified sequence in amino acids and coding DNA base pairs (ideal for amplification primer design) of a specified Uniprot ID. - Requires BioPython (3) and Bioservices...
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  • 22

    LipidWrapper

    Create lipid-bilayer models of arbitrary geometry.

    LATEST VERSION NOW LOCATED AT http://git.durrantlab.com/jdurrant/lipidwrapper As ever larger and more complex biological systems are modeled in silico, approximating physiological lipid bilayers with simple planar models becomes increasingly unrealistic. When building large-scale models of whole subcellular environments, models of lipid membranes with carefully considered, biologically relevant curvature are essential. LipidWrapper, written by Jacob Durrant in the lab of Rommie E. Amaro,...
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  • 23
    MDcons(Molecular Dynamics consensus)

    MDcons(Molecular Dynamics consensus)

    Interpretation of Biomolecular MD simulations

    MDcons is a tool to analyze conserved contacts during Molecular Dynamics (MD) simulations of Protein, Rna, Dna & Ligand based complexes. The input is either a Molecular Dynamics trajectory or a set of snapshots. The input can also be a single snapshot. The outputs are (1) map of most/less frequently conserved contacts during MD (2) a list of most/less frequently conserved contacts during MD.
    Downloads: 0 This Week
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  • 24
    IMPACT is an integrated multi-read peak calling tool for ChIP-Seq data. IMPACT utilizes multi-reads in calling peaks and provides users with high-confidence peaks. In addition, IMPACT provides a completely integrated pipeline which produces downstream analysis results such as motif discovery and peak-to-gene annotation.
    Downloads: 0 This Week
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  • 25

    EducationalLCS

    eLCS - Educational Learning Classifier System

    Educational Learning Classifier System (eLCS) is a set of learning classifier system (LCS) educational demos designed to introduce students or researchers to the basics of a modern Michigan-style LCS algorithm. This eLCS package includes 5 different implementations of a basic LCS algorithm, as part of a 6 stage set of demos that will be paired with the first introductory LCS textbook. Each eLCS implementations (from demo 2 up to demo 6) progressively add major components of the entire...
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