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Showing 50 open source projects for "icon of program: command"
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ERmod
Approximate solvation free energy calculator
ERmod (Energy Representation Module) is a program to calculate the solvation free energy based on the energy representation method (J. Chem. Phys. 113, 6070 (2000)). The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation software, such as LAMMPS, GROMACS and/or AMBER. -
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openSkyMatch
Matches OpenScience Observatories images with astronomical catalogs
openSkyMatch is a collection of Linux shell and Python scripts designed for the OpenScience Observatories program. It automates the identification and matching of detected celestial objects in locally captured FITS images with entries in large-scale sky catalogs, notably Pan-STARRS1 DR2 (II/389/ps1_dr2). The toolkit supports data preprocessing, coordinate correlation, and catalog-based validation of astronomical detections. All tools are open-source and optimized for reproducibility and... -
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NZMATH
Python Calculator on Number Theory, three-birds-one learning material
...It is freely available and distributed under the BSD license. All programs are written only by Python so that you can easily see their algorithmic number theory. You can get NZMATH with a single command: % python -m pip install -U nzmath Here % is the command line prompt of Windows or Unix/macOS. This release contains several program corrections and additions obtained by writing a programming "notebook" of the book 'Lectures on Elementary Number Theory' (TAKAGI, Teiji) in Python-NZMATH language. The "notebook" is available together. ... -
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U-Net Fusion RFI
U-Net for RFI Detection based on @jakeret's implementation
See original code here: https://github.com/jakeret/tf_unet Currently this project is based on Tensorflow 1.13 code base and there are no plans to transfer to TF version 2. The primary improvements to this code base include a training and evaluation framework, along with a fusion based approach to detection, combining a number of models (currently hard coded to two trained models) along with Sum Threshold as an additional "expert." Additional work is being done to add custom layers to... -
Atera all-in-one platform IT management software with AI agentsAtera’s AI agents don’t just assist, they act. From detection to resolution, they handle incidents and requests instantly, taking your IT management from automated to autonomous.
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ccplot
CloudSat and CALIPSO plotting tool
ccplot is an open source command-line program for plotting profile, layer and earth view data sets from CloudSat, CALIPSO and Aqua MODIS products. -
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PythonToolkit (PTK) is an interactive environment for python. It was designed to provide a python based environment similiar to Matlab for scientists and engineers however it can also be used as a general purpose interactive python environment.
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calculate-curie
Calculates Curie temperature for honeycomb/hexagonal materials
Program to calculate Curie temperatures for hexagonal and honeycomb materials, as described in *2D ferromagnetism at finite temperatures under quantum scrutiny* by *Joren Vanherck, Cihan Bacaksiz, Bart Sorée, Milorad V. Milošević and Wim Magnus*. -
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CIF2Cell
Generating cells for electronic structure calculations from CIF files
CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files. The program has been published... -
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This project houses software to analyze data acquired from electrophysiology experiments. Currently, we have an Octave/MATLAB program to analyze electroneurogram traces of coupled oscillators, and a Perl library for the analysis of voltage trace data
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Fully managed relational database service for MySQL, PostgreSQL, and SQL ServerCloud SQL manages your databases so you don't have to, so your business can run without disruption. It automates all your backups, replication, patches, encryption, and storage capacity increases to give your applications the reliability, scalability, and security they need.
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Buildes
A designer’s program for describing parts of the building
Buildes is an integrated development environment that assists the user in creating building information. It reads a text (session) file from which it compiles the information. It then allows the user to browse, analyze and export the resulting building knowledge. The compilation system is written in pure Python. The building components created are rendered in PythonOCC. The GUI is written using PyQt. -
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2DFLT
Program for Normalization, Averaging and Editing of In Situ Data Sets
2DFLT it is first out of two programs which allows implementation of Phase Sensitive Detection (PSD) and/or Modulated Enhanced Diffraction (MED) techniques on the in situ data. This software allows collecting individual data files from in situ experiment into one dataset. After that this data set can be visualized, edited, normalized and averaged. Resulted data can be saved as one flat file (FLT-format) which can be used for PSD/MED calculations via 2DMED software... -
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orbkit (Moved to Github)
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided. If you use orbkit in your work,... -
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iMSAT represents a full update of the vcf2MSAT program. This command line python program allows for a user to use the polymorphism data generated using SAM- and BAM-tools and a .fasta alignment file to search for polymorphic microsatellite markers (MSATs or STRs). By identifying polymorphic makers, rather than simple repeat regions as previous programs have done, iMSAT greatly increases the speed at which polymorphic MSATs that can be identified -- saving researchers precious time and money. ...
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O.N.O.S
Open Network Object System
Open Network Object System A Internet of things Content management system. Would you like to automate and controll remotely your home appliances from internet or lan using your phone /pc ? This program is for you! Internet of things made easy for everyone. Open source , simple to use , no need to know any programming language , you can add your programs easy , it runs bash command!every linux system will run it , portable . No installation required! just copy the folder where you want, connect your arduino to the usb and run the python program on the pc. -
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Acronym for camera light sensor. A python program that calculates ambient brightness and sets screen's correct backlight using a camera.
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Temperature Unit Converter
Temperature Unit Converter
...You can download .apk file from 'Files' section. (Or by visiting this page from your Android device) ---------------------------- A simple and useful GUI(Linux only) and command line program that lets you convert widely used temperature units to each other: Fahrenheit, Celsius and Kelvin. ------------------------------- Written by İ. Yuşa Çetin Using Python and gtk for GUI, C for algorithms and command line usage, Java for the Android version. ------------------------------------- This is still a Beta, so no one in the universe is responsible for anything happens :) I have it on my own computer and it's working properly. ... -
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...ADOMA uses ClustalW to create the multiple alignment from DNA or protein sequences and displays them slightly different than the normal output of ClustalW. ADOMA is a commandline program that can easily be used in pipelines. For more information check the README.md in the Files section. How to cite ADOMA: Zaal, D. and Nota, B. (2016), ADOMA: A Command Line Tool to Modify ClustalW Multiple Alignment Output. Mol. Inf., 35: 42–44. doi: 10.1002/minf.201500083 http://onlinelibrary.wiley.com/doi/10.1002/minf.201500083/abstract
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Latest on Arxiv
Parse the latest Arxiv RSS stream and get your institute preprints
...I provide this software as a demonstration on how we do it at the Kapteyn Astronomical Institute. The script is run daily as a cron command. Feel free to take and modify this code any way you want. But if you are using it, I'd love to at least here from you and know I didn't put this up for nothing. The program has no major prerequisites, except the Python package pyPdf. It is build for Python 2.6.x series, but will probably work on many others as well. -
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vipR is a program to screen for sequence variants (SNPs, deletions) in sequence data generated by high-throughput-sequencing platforms. Information on this and other projects can be found on: http://www.altmann.eu
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WebChemViewer
A simple program for sharing molecular structures with associated data
Sharing lists of molecular structures with associated chemical properties is a common task in computer-aided drug design and medicinal chemistry. WebChem Viewer is a simple, free, open-source program that generates HTML-formatted output that can be viewed in any modern web browser, on any operating system (including mobile), without requiring the installation of additional software. The output can also be easily incorporated into existing web pages. WebChem Viewer is released under the... -
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Scientific data elaborator
The data elaborator is a new project to manage scientific data
This program can make histograms, table and graphics of datas, study the error propagation during a measure, it is usefull if you have to do study errors propagations. The output are latex files, so it is easy for you just put them into your relations. -
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caplib
Correct, translate and analyze combinatorial library sequencing data
Originally developped to handle PacBio CCS data for an AAV capsid library. This program will extract, correct, translate and analyze the sequencng data, starting from the CCS fastq file. -
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WISP
Weighted Implementation of Suboptimal Paths (WISP)
UPDATE: LATEST VERSION AT http://git.durrantlab.com//jdurrant/wisp Allostery can occur by way of subtle cooperation among protein residues (e.g., amino acids) even in the absence of large conformational shifts. Dynamical network analysis has been used to model this cooperation, helping to computationally explain how binding to an allosteric site can impact the behavior of a primary site often many angstroms away. Traditionally, computational efforts have focused on the most optimal path... -
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QtoNum
python calculus library with imprecise and precise representations
QtoNum is a calculator for qualitative values (-, +), intervals and crisp numbers with arbitrary precision. QtoNum also handles infinitesimals and infinites. All these types can be mixed in expressions and conversions are performed automatically. QtoNum can be used as an interactive calculator (command line) and as a calculus library. -
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Gnuplot2TightPDF
Python script that produces a tight pdf from gnuplot with psfrag text.
Gnuplot is a widely known script based free plotting program. This script (gpt2pdf) makes it possible to generate pdf figures with 2D LaTeX maths on top of it by including psfrag replacements directly as comments in the gnuplot file. The resulting pdf file doesn't contain any extra white-spaces around it and as such can be comfortably included in any (pdf)LaTeX file. Requires: Python 2.4 - 2.7, LaTeX and the system commands ps2epsi and epstopdf which comes in with any ghostscript...
