Search Results for "molecular dynamics simulation"
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Showing 12 open source projects for "molecular dynamics simulation"
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The full-stack observability platform that protects your dataLayer, tags and conversion dataCode-Cube.io detects issues instantly, alerts you in real time and helps you resolve them fast. No manual QA. No unreliable data. Just data you can trust and act on.
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Data management solutions for confident marketingVerify, deduplicate, manipulate, and assign records automatically to keep your CRM data accurate, complete, and ready for business.
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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 anisotropic NMR parameters such as RDCs and PCSs, the investigation of stereochemistry in dynamic ensembles, and the analysis of relaxation dispersion data. -
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Minsky
System dynamics program with additional features for economics
Minsky brings system dynamics and monetary modelling to economics. Models are defined using flowcharts on a drawing canvas (as are Matlab's Simulink, Vensim, Stella, etc). Minsky's unique feature is the "Godley Table", which uses double entry bookkeeping to generate stock-flow consistent models of financial flows. Minsky is good for demonstrating mathematics too, with the most "math-like" interface in system dynamics. Sign up to Minsky's Patreon page (for as little as $1 a month) at... -
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NanoCap
Carbon Fullerene and Capped Nanotube Generator
NanoCap is a generic application for the construction of low energy fullerene and capped nanotube structures. It provides an ideal tool to accompany the study of finite carbon molecules using computer simulation. The implementation involves a standalone application which includes a GUI and allows for dynamic visual inspection through 3D rendering. In addition, the NanoCap core libraries can be used in custom Python scripts that enabled the user to produce structures in bulk or to include the... -
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This toolbox generates automatically a vtk-visualization for an ode (Open Dynamics Engine) simulation under Python. You only have to define the simulation space and world and forward these entities to the visualization. That's all... Install also via pip possible: pip install odeViz
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The AI workplace management platformBy combining AI workflows, predictive intelligence, and automated insights, OfficeSpace gives leaders a complete view of how their spaces are used and how people work. Facilities, IT, HR, and Real Estate teams use OfficeSpace to optimize space utilization, enhance employee experience, and reduce portfolio costs with precision.
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A free, industrial quality library for simulating articulated rigid body dynamics - for example ground vehicles, legged creatures, and moving objects in VR environments. It's fast, flexible & robust. Built-in collision detection.
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allink
Software for data analysis, image processing, simulations, solver.
...VarData) manipulate a structure of points connected by links. Addraw) openGL engine. ElPoly) analyze mechanical properties of polymer and membrane like structures. Addyn) perform molecular dynamics and Monte Carlo simulations and has a solver for 4th oder PDE. Avvis) perform all the operation of Matematica on different sets of data visualized on a Qt graphical interface. DrImage) image manipulation on the Matematica filters. The program is intended to use as less as possible external libs (optional: openGL, gsl, fftw, cgal, png, tiff, boost, MPI, Qt...). -
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is a interactive molecular visualisation program designed especially designed for coarse-grained simulation of non-spherical particles. Ellipsoids (Gay-Berne), disks, and custom shaped uniaxial particle (e.g. pear-shaped particles) can be represented.
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"JSBSim Python Bindings" is a Python wrapper around the open source flight dynamics model JSBSim (http://jsbsim.sourceforge.net/). It allows to use most of the JSBSim C++ API from the Python programming language.
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Guanxi is a robust analysis and simulation application for Social Network Analysts. Guanxi allows researchers in the field to create, import, and export an endless array of networks, analyze their structure, and run custom dynamics over them.
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SoftCo: Enterprise Invoice and P2P Automation SoftwareSoftCo Accounts Payable Automation processes all PO and non-PO supplier invoices electronically from capture and matching through to invoice approval and query management. SoftCoAP delivers unparalleled touchless automation by embedding AI across matching, coding, routing, and exception handling to minimize the number of supplier invoices requiring manual intervention. The result is 89% processing savings, supported by a context-aware AI Assistant that helps users understand exceptions, answer questions, and take the right action faster.
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MBDyn_sim_suite is a collection of free pre&post-processing tools and simulation models for the open-source multi-body analysis software MBDyn forming a general purpose simulation environment for structural dynamics with an emphasis on wind turbines.
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Software package for stochastic and hybrid simulation of microtubule dynamics and the effects of anti-mitotic drugs and microtubule regulatory proteins.
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openSim is a software platform for the creation, simulation and visualization of system dynamics models.
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