Search Results for "open-shell" - Page 3
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641 projects for "open-shell" with 2 filters applied:
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Train ML Models With SQL You Already KnowBuild and deploy ML models using familiar SQL. Automate data prep with built-in Gemini. Query 1 TB and store 10 GB free monthly.
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Go From AI Idea to AI App FastAccess Gemini 3 and 200+ models. Build chatbots, agents, or custom models with built-in monitoring and scaling.
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The NSCL Data Acquisition system is a general purpose nuclear physics data acquisition system in use at several university labs and, of course, the National Superconducting Cyclotron Laboratory at Michigan State University. The development of the NSCLDAQ is currently funded by DOE grant DE-SC0000661 Note that as of July, 2023 all development and release packages will be hosted at https://github.com/FRIBDAQ/NSCLDAQ
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SPINspiral
A gravitational-wave parameter-estimation code for LIGO/Virgo
SPINspiral is a parameter-estimation code for the analysis of gravitational-wave signals detected by LIGO/Virgo. -
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PUPIL (Program for User Package Interface and Linking), is a software environment that allows developers to link quickly and efficiently together multiple pieces of software in a fully automated multi-scale simulation. More specifically, it supports QM/MM MD simulations where the user might choose among any of the different MD engines and QM engines, which are connected to PUPIL as external programs through a tiny specific interface. One of the main advantages here is that the user can use...
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QuickPlot
Simple user interface for gnuplot aimed for reflectometry data
Graphical user interface for gnuplot to create publication quality figure very quickly. It supports templates for fast formatting of graphics, different plot styles, insets, axis and label options. One important feature is storing metadata in png and pdf files that can be used to reload any graph saved with QuickPlot. -
MongoDB Atlas runs apps anywhereMongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.
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analyseMCMC
Analyse output from MCMC codes like SPINspiral and lalinference_mcmc
analyseMCMC post-processes, analyses and plots output from the LIGO/Virgo gravitational-wave inspiral parameter-estimation codes SPINspiral and lalinference_mcmc. -
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SciDAVis is a user-friendly data analysis and visualization program primarily aimed at high-quality plotting of scientific data. It strives to combine an intuitive, easy-to-use graphical user interface with powerful features such as Python scriptability.
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Tcl/Tk support for the EPICS control system along with EPICS aware megawidgets. Note that as of September 27, 2023, development and new releases of this project will occur on github. See: https://github.com/FRIBDAQ/EpicsTcl
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Physics Simulation Software based on user sketchs running a pattern recognition agent, this app is able to animate a physics sketch, from a blackboard
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CompPad is a LibreOffice extension that provides live mathematical and engineering calculations within a Writer document. It is intended to provide a free / open-source alternative to Mathcad .
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Enterprise-grade ITSM, for every businessFreshservice is an intuitive, AI-powered platform that helps IT, operations, and business teams deliver exceptional service without the usual complexity. Automate repetitive tasks, resolve issues faster, and provide seamless support across the organization. From managing incidents and assets to driving smarter decisions, Freshservice makes it easy to stay efficient and scale with confidence.
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OFELI (Object Finite Element LIbrary) is a library of finite element C++ classes for multipurpose development of finite element software. It is intended for teaching, research and industrial developments as well.
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'isotope' is a small command-line utility to calculate the isotope pattern for a given chemical formula. It allows to run calculations interactively, in batch mode, via the command line, or (using a webserver) via a web interface.
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bruread is a program to read and display NMR data in the Bruker XWIN-NMR format. The program has a command-line interface and a graphic display based on gnuplot. - Note that this is only an NMR spectrum *viewer*, not a full-fledged data evaluation suite
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cdfread is a program for people wirking with mass spectrometry datasets. cdfread implements the routines to read mass spectra and mass chromatograms from data files in netCDF ("Andi-MS") format. Centroid and profile data are supported.
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MesoRD is a stochastic and deterministic simulator of coupled chemical reactions and diffusions in space.
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Quantum Information Toolkit is a comprehensive, easy-to-use interactive numerical toolkit for quantum information and computing, available for both MATLAB and Python.
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Zarja
Agent-based simulation toolkit
It is an open source scientific library that is focused on multi-agent simulations on graphs. It prepares basic toolkit for agents, models, timers, graphs, nodes and edges. It is also accompanied with tools for data processing. -
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Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
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VISTAS (VCSEL Integrated Spatio-Temporal Advanced Simulator) is a highly efficient 2D, time-domain Vertical-Cavity Surface-Emitting Laser (VCSEL) model aimed at optimizing entire optical links.
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Towhee is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based force fields and the Gibbs ensemble with particular attention paid to algorithms addressing molecule conformation sampling.
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EVAlgebra - Clifford algebra calculator
A simple Clifford algebra calculator
EVAlgebra , symbolic Clifford algebra calculator (geometric algebra) , is an Eigenmath adaptation. EVAlgebra support space dimension from 1 to 4 with arbitrry signature. It is fully documented at evalgebra.org. You may write your own scripts to resolve specific problem. -
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wxProdOp
NMR Product Operator Calculator
The program does nmr product operator calculations for one, two, three and four spins. Receiver phase cycling is possible in conjunction with pulse phase cycling to simulate coherence pathway selection. An extensive manual and help files are included. Currently running under Linux and Windows. -
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An SNTP client for Virtual PC. It is for machines that do not have a sane time and a working hardware RTC. It synchronize the system time frequently with a nearby NTP server. It uses settimeofday(). It is based on RFC 1769 and RFC 1305.
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Gpredict
Real time satellite tracking and orbit prediction
Gpredict is a real-time satellite tracking and orbit prediction application. Gpredict can track an unlimited number of satellites and display the data in tables and various graphical view. -
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As of 2020, this project has moved. See https://mesastar.org. Release versions can be found on Zenodo at https://doi.org/10.5281/zenodo.2602941. The code is now hosted on GitHub at https://github.com/MESAHub/mesa. You can find the documentation at https://docs.mesastar.org/.
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OS X Portable Applications
Portable OS X FOSS applications
OS X FOSS portable applications are packaged so you can carry around on any portable device, USB thumb drive, iPod, portable hard drive, memory card, other portable device (or also on your internal hard disk), taking your preferences with you.
