Search Results for "water"
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Showing 25 open source projects for "water"
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A cross-platform, open-source, alternative to NIST REFPROP. Based on reference-accuracy equations of state and transport property correlations for refrigerants like Water, CO2, R134a, Nitrogen, Argon, Ammonia, Air, R404a, R410a, Propane and many others. A selection of secondary working fluid properties are also available. Can also make use of REFPROP when available. In addition, calculations for Humid Air Properties based on ASHRAE RP-1485 are provided. Wrappers are available for MATLAB, Octave, Python, C#, Fortran and many more.
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MzDOCK - Multiple Ligand Docking Tool
MzDOCK is A Virtual Screening Tool For Drug Discovery Research
- Molecular Docking Virtual Screening Tool To Aid In Drug Discovery Research. - Published in Wiley, Journal of Computational Chemistry . Link: https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.27390 - Developed with Synchronized functioning of Python and Batch scripts -Integerated With Pymol-open-source for visualizing interaction (PSE file) generated from MzDOCK - Integrated with Molecule Drawing Tool - JSME Editor - If you are facing any issues or for queries . Contact us -... -
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Kalypso is an open source application for geospatial modelling and simulation. It is primarily developed to be a user friendly tool for GIS-based modelling and simulation of hydrological and hydraulic numerical models.
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QMCF2
Quantum Mechanical Charge Field - Molecular Dynamics
QMCF2 is a molecular-simulation package for molecular dynamics, Monte Carlo, geometry optimization, molecular mechanics, and combined quantum-mechanical/molecular-mechanical calculations. The source includes force-field, electrostatics, constraints, thermostats, pressure control, water models, QMCF/QM-MM, external-QM interfaces, conversion tools, and analysis utilities. Interfaces are available for xTB, DFTB+, Gaussian, Turbomole, CRYSTAL, and ASE-based workflows. External programs must be installed separately. Installation: open the Code tab and download or clone the complete repository. On Linux, open a terminal in `qmcf2_installer` and run: `python3 qmcf2_installer.py3` Review the detected compilers, libraries, paths, and warnings, then start the build. ... -
Fully Managed MySQL, PostgreSQL, and SQL ServerCloud SQL handles your database ops end to end, so you can focus on your app.
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water_hammer_simulation
A Qt application for water hammer simulation.
With differents numerical methods this application simulate the water hammer phenomenon. -
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IF97
Water & steam properties Java library
Steam tables for industrial use according to the international standard for the properties of water and steam, the IAPWS-IF97 formulation and the international standards for transport and other properties. Hummeling Engineering BV develops engineering software in the fields of thermodynamics, mechanics, hydrodynamics, and digital signal processing. -
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hydraulics_channel_gvf
Gradually Varied Flow (GVF) simulation.
Application used to compute water surface profiles in prismatic channel for gradually varied flow. -
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PCRaster
PCRaster environmental modeling software
Note: Active projects have been copied to Github: https://github.com/pcraster News, project information, documentation and more are available at http://www.pcraster.eu PCRaster is a collection of tools and software libraries tailored to the construction of spatio-temporal environmental models. Application domains are amongst others hydrology (rainfall-runoff, global water balance, groundwater (with Modflow)), ecology, or land use change. Two scripting languages (PCRcalc and Python) include a rich set of spatial operations for manipulating and analysing raster maps. A Python framework supports Monte Carlo simulations and data assimilation (Ensemble Kalman Filter and Particle Filter). The Aguila tool allows for the interactive visualisation of stochastic spatio-temporal data. -
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The openFuelCell project is a forum to develop open source computational fluid dynamics (CFD) software to model fuel cells. Fuel cells http://en.wikipedia.org/wiki/Fuel_cell are devices that convert hydrogen and oxygen to water and electricity, and are promising renewable energy conversion devices. Computational fluid dynamics tools are used to size and rate fuel cell systems. OpenFoam is an open source CFD toolbox, available for downloading at http://www.openfoam.com/, written in C++ and conforming to the object-oriented paradigm.
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ParamIT
a Toolset for Molecular Mechanical Force Field Parameterization
...The developed toolkit helps the researchers in following ways: 1) automating the creation of multiple input files for quantum and molecular mechanics programs, 2) automating the output analysis and 3) substitute the use of full MM programs with a faster specialized one. The developed tools include: 1) generator of molecule-water complexes with graphical user interface (GUI), 2) semi-automatic frequency analysis using symbolic potential energy distribution matrix and comparison of optimized internal coordinates, 3) GUI for charge fitting with three modes: manual, Monte-Carlo sampling or brute force, and 4) GUI for dihedral terms fitting. The usage of these tools decreases the labor effort, lowers manual input errors and reduces the time needed for accurate MM parameterization efforts. -
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TdhNet
Free Hydraulic Model for Water Systems
Summary of Features: FREE (no ads, no time limitations) Run on MS Windows or Linux Unlimited Network Size Unlimited ID Size (for all entities) Database storage and querying for input data and model results Contours for displaying model results Graphical data entry Attachable, searchable notes Epanet file compatibility -
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MF-OWHM | MODFLOW OWHM
Simulation, analysis, and management of the movement of water
...MF-OWHM represents a complete IHM that fully links the movement and use of groundwater, surface water, and imported water for consumption by agriculture and natural vegetation on the landscape, and for potable and other uses. -
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FAST Simulations
An Open source Analysis and SImulation Toolbox for Fuel Cells
...Features of FAST-fc include transport of gases and liquids, multi-step reaction kinetics, transient and steady state operation for performance and durability, and scalable dimensionality from 1D - 3D domains. Future development work is on-going in FAST-fc and our strategic development schedule includes membrane degradation, improved liquid water transport models through the application of pore networks, and extension to stack-level simulation. -
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piv_clustering
structural clustering of atomic trajectories based on PIV
This program allows to perform a structural cluster analysis of atomic trajectories obtained, e.g., from molecular dynamics simulations. At variance with other approaches, it is possible to analyse also processes in solution, e.g., chemical reactions in liquid water, since the distance metric is based on a Permutation Invariant Vector (PIV) that is symmetric under exchange of identical atoms or molecules, including on the same footing both solute and solvent degrees of freedom. The approach is general and the definition of PIV only requires to specify the range of interatomic distances that is relevant for the process under study. ... -
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itermd
Software tools for applications of simulations by iterations.
...Requires knowledge of C language. Knowledge of gtk and cairo (for simple graphs) is not necessary. See examples. -sugar fermentation kinetics -parachute drop -cycle of a water tank heated by solar panels -curve of chase For your simulation, simply copy and adapt some lines corresponding explicit examples. -
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A native Java port of freesteam - http://freesteam.sourceforge.net/ An open source implementation of international-standard IAPWS-IF97 steam tables from the International Association for the Properties of Water and Steam (IAPWS).
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...The new tool, SNL-EFDC, is an augmented version of US EPA’s Environmental Fluid Dynamics Code (EFDC) and includes; (1) a new module that simulates energy conversion (momentum withdrawal) by MHK turbine-like devices including commensurate changes in the turbulent kinetic energy and turbulent kinetic energy dissipation rate, (2) new, advanced sediment dynamics routines, and (3) augmented water quality modules. SNL-EFDC has been verified and validated against flume measurements of flow around sub-scale turbines and actuator disks.
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GrassrootsWiki – Water Solutions is a free software for the implementation of water supply projects in rural areas. It enables the design and simulation of networks with discontinued water sources using the computational engine of EPANET.
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The project implements Protein Folding on a CBE. The role of water on folding under different environments is studied through visualization results. It acts as a tool to visualize the folding of an amino acid sequence into a 3D protein structure.
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Web-based dynamic system modeling tool for online nonpoint pollution, hydrology, and water supply planning. Supports HSPF, CEQUAL and GWLF. Web Hydrology Object model is object oriented, with user definable equations, linkages and remote data queries.
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WaVeSim (Water Vehicle Simulator) is a simulation environment to test water vehicles' on-board software. It simulates surface and underwater vehicles' dynamics and acoustic signal propagation. Virtual sensors and 3D visualization system are available.
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A Fast MAC based 3D Free surface fuid solver. Capable also of simulating viscoelastic fluids.Includes also wave equation solver for simulating shallow water phenomena.
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OpenFlood is a fully dynamic 1D / 2D flood simulation engine intended to simulate fluvial and tidal flooding using the Saint Venant and shallow water equations.
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