Showing 56 open source projects for "computer science"

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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: 1,694 This Week
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  • 2
    Jmol

    Jmol

    An interactive viewer for three-dimensional chemical structures.

    Over 1,000,000 page views per month. Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other...
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    Downloads: 529 This Week
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  • 3
    CyberUnits

    CyberUnits

    Class library for computational cybernetics

    CyberUnits is a cross-platform class library for rapid development of high-performance computer simulations in life sciences. It supports modelling for biomedical cybernetics and systems biology with Object Pascal.
    Downloads: 4 This Week
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  • 4
    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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  • 5
    genppi

    genppi

    GENPPI: standalone software for creating protein interaction networks

    Our software GENPPI is efficient because, for example, it creates interaction networks from the central genome of 50 species/lineages of Corynebacterium, with an average size of 2200 genes, in less than 40 minutes, on a conventional computer. Our software is compelling because the interaction networks that it creates reflect evolutionary relationships between species and obtained in Average Nucleotide Identity (ANI) analyzes. Also, It allows the user to define how he intends to explore the...
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  • 6
    MicrobialChemostatSimulation

    MicrobialChemostatSimulation

    Computer Lesson and Simulation of Bacterial Chemostat and Chemotaxis

    CheStatGen2b.exe will install a Lesson and Simulation of Bacterial Motility and Chemotaxis in a Chemostat Simulation. Bacterial Chemotaxis is the motion up or down the direction of an attractant or repelant of each bacteria. The simulation also demonstrates the bacterial mechanism of this utility. The Lesson also gives the Microbiology used in the simulation. It is coded in vb.net in MS Visual Studio 2022 Please note: After downloading and running the CheStatGen2b.exe file, also run the...
    Downloads: 0 This Week
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  • 7
    BacterialChemotaxis

    BacterialChemotaxis

    Computer Lesson and Simulation of Bacterial Chemotaxis

    CSim3a.exe will install a Lesson and Simulation of Bacterial Chemotaxis. Bacterial Chemotaxis is the motion up or down the direction of an attractant or repelant of each bacteria. The simulation also demonstrates the bacterial mechanism of this utility. The Lesson also gives the Basic code used in the simulation. Installs as motility3a in c:/users/public/CSim3a
    Downloads: 0 This Week
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  • 8
    Biomechanics
    Computer programs for application in Sports science, Physical Culture, among others. By Enrique R.P. Buendía Lozada. buendiaenr@gmail.com , Benemérita Universidad Autónoma de Puebla (BUAP), México. (Software without any warranty).
    Downloads: 0 This Week
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  • 9
    GMOL

    GMOL

    A tool for 3D genome structure visualization

    ...This software was built upon the pre-existing Jmol package by Prof. Cheng's group. The software is developed in Prof. Jianlin Cheng's Bioinformatics, Data Mining and Machine Learning Laboratory in the Computer Science Department at the University of Missouri - Columbia, USA. The project is supported by the National Science Foundation (grant no. DBI1149224). If you use GMOL in your research, please cite: Nowotny, Jackson, Avery Wells, Oluwatosin Oluwadare, Lingfei Xu, Renzhi Cao, Tuan Trieu, Chenfeng He, and Jianlin Cheng. "GMOL: an interactive tool for 3D genome structure visualization." ...
    Downloads: 3 This Week
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  • 10
    gogadget

    gogadget

    A toolbox for interpretation and visualization of RNA-seq GO analysis

    gogadget is an R package, and can help with the visualization and interpretation of GO enrichment analysis of RNA-seq data. It is developed especially for the use in combination with goseq. The functions that are available in this package are extensively described in the user's guide. To install the package download the "gogadget_2.1.tar.gz" file, open R and install with the following line: install.packages( "C:/your/directory/gogadget_2.1.tar.gz", repos = NULL,...
    Downloads: 0 This Week
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  • 11
    Community-based development of the Vaccine Ontology (VO) to standardize vaccine annotation, integrate various vaccine data, and support computer-assisted reasoning.
    Downloads: 0 This Week
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  • 12
    BOWS

    BOWS

    Bioinformatics Open Web Services

    BOWS is a generic system based on Web Services which allows programmatic access to applications running on HPC clusters. BOWS allows incorporation of several independent applications since programmers can install them in HPC clusters in any programming language. The lonely requirement is to write a script named “arrow” which calls BOWS back-end services periodically in order to check for new processes and their required parameters. If a new process is found, the “arrow” script should change...
    Downloads: 0 This Week
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  • 13
    JBioFramework

    JBioFramework

    Growing suite of proteomics simulations for educational purposes

    JBioFramework (JBF) is a set of two different chemical separations simulations (2D Electrophoresis and Mass Spectrometry) that are frequently used in chemistry, biochemistry and proteomics research. It is written in the Java programming language and will run on any and all systems that have the JVM installed. As we continue to develop the software over the coming months/years and attempt to quantify the success of our efforts with testing and reviews, user input is very important. Please...
    Downloads: 1 This Week
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  • 14
    Fast Neurite Tracer

    Fast Neurite Tracer

    Semi-automatic neurite tracing with tera-bytes of imaging data.

    Fast Neurite Tracer (FNT) is a tool for semi-automated neurite tracing. FNT can handle big imaging data such as fMOST data. It can also process other types of light imaging data in general. FNT is designed to be * accurate in tracing (each tracing step needs your confirmation), * fast (operations using computer mouse is reduced with automatic searching), * scalable (large volume data of tera-bytes in size are supported). Other features include * the results can be exported to...
    Downloads: 0 This Week
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  • 15
    Kinannote

    Kinannote

    Protein Kinase Identification and Classification

    Kinannote identifies and classifies protein kinases in a user-provided fasta file using an HMM derived from serine/threonine protein kinases, a position specific scoring matrix derived from the HMM, and comparison with a local version of the curated kinase database from kinase.com. If the user inputs a complete proteome, additional modules evaluate the completeness of the kinome and place it in context with reference kinomes. Kinannote runs on a unix command line and depends on local hmmer 2...
    Downloads: 2 This Week
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  • 16
    PDBManip

    PDBManip

    PDBManip is a free program for editing PDB (Protein Data Bank) Files

    PDBManip is a free program for editing and manipulating PDB (Protein Data Bank) files. It has a graphical user interface and it is provided as an executable file for running on Windows® operating systems. There is a bunch of free programs on the internet for the same purpose. What discriminate between PDBManip and those programs is that PDBManip uses AngelScript language which is very similar to C/C++ language, to write scripts to do our editing tasks. I know that the text-manipulation...
    Downloads: 0 This Week
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  • 17

    P3BSseq

    Parallel processing pipeline for analysis of bisulfite sequencing data

    Bisulfite sequencing (BSseq) processing is among the most cumbersome next generation sequencing (NGS) applications. Though some BSseq processing tools are available, they are scattered, require puzzling parameters and are running-time and memory-usage demanding. We have developed P3BSseq, a parallel processing pipeline for fast, accurate and automatic analysis of BSseq reads that trims, aligns, annotates, records the intermediate results, performs bisulfite conversion quality assessment,...
    Downloads: 0 This Week
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  • 18

    Science & Engineering Inventory

    Rediscover the Simplicity http://www.atgclabs.com/

    Request new Lab Inventory feature or module and receive a free Single User version with new feature. Help us to improve Lab Inventory. We want to hear your feedback! https://www.atgclabs.com/products/li The Lab Inventory System is an innovative, easy to learn full-featured solution for research laboratories. You can quickly and easily upload your existing Excel based inventory and get started in minutes, manage laboratory inventory, place orders and keep track of them in one...
    Downloads: 0 This Week
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  • 19
    Visualization of Protein-Ligand Graphs

    Visualization of Protein-Ligand Graphs

    Compute protein graphs. Moved to https://github.com/MolBIFFM/PTGLtools

    NOTE: Project moved to https://github.com/MolBIFFM/PTGLtools. The Visualization of Protein-Ligand Graphs (VPLG) software package computes and visualizes protein graphs. It works on the super-secondary structure level and uses the atom coordinates from PDB files and the SSE assignments of the DSSP algorithm. VPLG is command line software. If you do not like typing commands, try our PTGL web server: http://ptgl.uni-frankfurt.de/
    Downloads: 0 This Week
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  • 20
    BABA stands for Basic-Algorithms-of-Bioinformatics Applet. This project aims to create a set of bioinformatic algorithms presented didactically. The algorithms available at the moment are: Needleman&Wunsch, Smith&Waterman, Four Russians and Nussinov.
    Downloads: 0 This Week
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  • 21
    RAFTS3

    RAFTS3

    Rapid Alignment Free Tool for Sequences Similarity Search

    RAFTS3 can perform high-speed protein search comparisons locally using a desktop computer or laptop. RAFTS3 performed searches many times faster than those with BLASTp against large protein databases such as NR and Pfam, with a small loss of sensitivity depending on the similarity degree of the sequences. RAFTS3 is a new alternative for fast comparison of protein sequences, genome annotation and biological data mining. Preprint: http://dx.doi.org/10.1101/055269 Precomputed databases...
    Downloads: 0 This Week
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  • 22
    ShuffleFastaSeq

    ShuffleFastaSeq

    This application can be used to shuffle sequences in FASTA format.

    ShuffleFastaSeq is a Windows form application, written in C#, to shuffle FASTA-formatted sequences. The random permutation is obtained using a simple variation of the Fisher-Yates alghorithm implemented by Durstenfeld (https://en.wikipedia.org/wiki/Fisher%E2%80%93Yates_shuffle) ( Knuth DE. The art of computer programming: seminumerical algorithms. 3rd ed. Boston: Addison-Wesley; 1997). The input file contains one or more sequences in FASTA format. The number of shufflings (n) for each...
    Downloads: 0 This Week
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  • 23

    ExAM-Exome_Analysis_And_Mining

    A whole exome sequencing analysis package and its graphical interface

    During the past few years, whole exome sequencing has imposed itself for genetic research, largely due to its use for detection of causative mutations responsible for Mendelian disorders. As a consequence of their power and of the rapidly decreasing cost of these technologies, massive amount of exome sequencing data are generated and becoming available to a broadening community of scientists. However, these data remain difficult to analyze and interpret by the general scientific community,...
    Downloads: 0 This Week
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  • 24
    Gen3D

    Gen3D

    A tool for 3D genome and chromosome structural model construction

    ...This method can generate three-dimensional chromosomal models satisfying a large portion of chromosomal contacts. The software is developed in Prof. Jianlin Cheng's Bioinformatics, Data Mining and Machine Learning Laboratory in the Computer Science Department at the University of Missouri - Columbia, USA. The project is supported by the National Science Foundation (grant no. DBI1149224). If you use Gen3D in your research, please cite: Nowotny, Jackson, Sharif Ahmed, Lingfei Xu, Oluwatosin Oluwadare, Hannah Chen, Noelan Hensley, Tuan Trieu, Renzhi Cao, and Jianlin Cheng. ...
    Downloads: 0 This Week
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  • 25

    Automatic cell lineage reconstruction

    Automatic segmentation and tracking for 3D time-lapse microscopy

    From Amat et al., Nature Methods, 2014*: "The comprehensive reconstruction of cell lineages in complex multicellular organisms is a central goal of developmental biology. We present an open-source computational framework for segmentation and tracking of cell nuclei with high accuracy and speed. We demonstrate its (1) generality, by reconstructing cell lineages in four-dimensional, terabyte-sized image data of fruit-fly, zebrafish and mouse embryos, acquired with three different types of...
    Downloads: 0 This Week
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