Search Results for "open-shell"
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641 projects for "open-shell" with 2 filters applied:
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Earn up to 16% annual interest with Nexo.Generate interest, access liquidity without selling, and execute trades seamlessly. All in one platform. Geographic restrictions, eligibility, and terms apply.
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Custom VMs From 1 to 96 vCPUs With 99.95% UptimeLive migration and automatic failover keep workloads online through maintenance. One free e2-micro VM every month.
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Brax
Massively parallel rigidbody physics simulation
Brax is a fast and fully differentiable physics engine for large-scale rigid body simulations, built on JAX. It is designed for research in reinforcement learning and robotics, enabling efficient simulations and gradient-based optimization. -
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Surya
Implementation of the Surya Foundation Model for Heliophysics
Surya is an open‑source, AI‑based foundation model for heliophysics developed collaboratively by NASA (via the IMPACT AI team) and IBM. Named after the Sanskrit word for “sun,” Surya is trained on nine years of high‑resolution solar imagery from NASA’s Solar Dynamics Observatory (SDO). It is designed to forecast solar phenomena—such as flares, solar wind, irradiance, and active region behavior—by predicting future solar images with a sophisticated long–short vision transformer architecture, thereby enabling improved space weather forecasting. ... -
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Open Beam Profiler
Profiling and analysis of laser beams with ImageJ
This open-source software enables profiling and analysis of laser beams. It can be used with a variety of cameras supported by ImageJ and Micro-Manager, or images from any other source. It provides all common analysis methods like D4Sigma, knife-edge, as well as fitting of Hermite-Gauss, Laguerre-Gauss and super-Gauss functions. -
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GMAT
General Mission Analysis Tool
The General Mission Analysis Tool (GMAT) is an open-source tool for space mission design and navigation. GMAT is developed by a team of NASA, private industry, and public and private contributors. The GMAT development team is pleased to announce the release of GMAT version R2026a. For a complete list of new features, compatibility changes, and bug fixes, see the R2026a Release Notes in the Users Guide. -
Gemini 3 and 200+ AI Models on One PlatformBuild generative AI apps with Vertex AI. Switch between models without switching platforms.
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Gwyddion
Scanning probe microscopy data visualisation and analysis
A data visualization and processing tool for scanning probe microscopy (SPM, i.e. AFM, STM, MFM, SNOM/NSOM, ...) and profilometry data, useful also for general image and 2D data analysis. -
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Elmer finite element software
Open source finite element software for multiphysical problems
Elmer is a finite element software for numerical solution of partial differential equations and multiphysical problems. It includes models of structural mechanics, fluid dynamics, heat transfer, electromagnetics etc. Elmer home is www.csc.fi/elmer -
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Asymptote
2D & 3D TeX-Aware Vector Graphics Language
Asymptote is a powerful descriptive vector graphics language for technical drawing, inspired by MetaPost but with an improved C++-like syntax. Asymptote provides for figures the same high-quality typesetting that LaTeX does for scientific text. -
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Stand-alone application and Python tools for interactive and/or batch processing analysis of X-Ray Fluorescence Spectra. Graphical user interface (GUI) and batch processing capabilities provided.
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An Open Source model rocket simulator.
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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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REDUCE
A Portable General-Purpose Computer Algebra System
REDUCE is an interactive system for general algebraic computations of interest to mathematicians, scientists and engineers. It can be used interactively for simple calculations but also provides a flexible and expressive user programming language. The development of the REDUCE computer algebra system was started in the 1960s by Anthony C. Hearn. Since then, many scientists from all over the world have contributed to its development. REDUCE has a long and distinguished place in the... -
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PreviSat
Satellite tracking software
PreviSat is a satellite tracking software for observing purposes. Very easy to use, it shows positions of artificial satellites in real-time or manual mode. PreviSat is able to make predictions of their passes, predictions of MetOp and COSMO-SkyMed flares, transits of all satellites, predictions of Starlink satellites passes and several other calculations. -
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JaxoDraw
JaxoDraw: Feynman Diagrams made easy!
JaxoDraw is a tool to generate Feynman diagrams in a mouse click-and-drag fashion. Graphs can be exported to a variety of graphics formats and arbitrary latex code can be used for labels to produce high-quality publishing-style figures. -
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Madagascar is a software package for geophysical data processing and reproducible numerical experiments. The package mission is to provide a convenient environment for researchers working with digital image and data processing in geophysics and related fields.
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GWtool
Simple tools for working with gravitational waves
GWtool: simple tools for working with gravitational waves -
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astroTools
Command-line tools for astronomy and astrophysics
Command-line tools for astronomy and astrophysics, written in Fortran. -
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Object-oriented crystallographic library and program, for the analysis of Crystal structures from scattering experiments: optimized scattering computation, Graphical interface for structures and data, global optimization algorithms.
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gVirtualXRay
Virtual X-Ray Imaging Library on GPU
gVirtualXRay is a C++ library to simulate X-ray imaging. It is based on the Beer-Lambert law to compute the absorption of light (i.e. photons) by 3D objects (here polygon meshes). It is implemented on the graphics processing unit (GPU) using the OpenGL Shading Language (GLSL). SimpleGVXR is a smaller library build on the top of gVirtualXRay. It provides wrappers to Python, R, Ruby, Tcl, C#, Java, and GNU Octave. -
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oxDNA
A code primarily aimed at DNA and RNA coarse-grained simulations
The oxDNA code has been moved to https://github.com/lorenzo-rovigatti/oxDNA, please go there for new releases. -
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WavePacket (C++/Python)
Time-dependent simulation of open and closed quantum systems
...WavePacket is suitable for teaching quantum mechanics as well as for research projects in physics and chemistry. The present C++ version is an object-oriented rewrite of the existing Matlab version aiming to be more flexible. In particular, the goals are easy handling of open and closed systems and support for unusual setups. -
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http://loto.sourceforge.net/ hosts 4 projects of free software related to materials science and physics. They are loto, feram, compasses and xtalgrowth.
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Zgoubi is a raytracing code. Since 1972 it pushes charged particles through accelerators and beam lines, by stepwise solution of Lorentz force equation - and their spins via Thomas-BMT differential equation. Zgoubi simulates beam dynamics and polarization in a variety of accelerators (storage ring, synchrotron, cyclotron, betatron, microtron, FFAG, multi-pass ERL, etc) and optical systems (beam lines, magnetic and electrostatic optical components, time-of-flight and mass...
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CAMPARI
Software for molecular simulations and trajectory analysis
We are proud to introduce version 5 of CAMPARI. We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and... -
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SeaBreeze
Open-source cross-platform spectrometer device driver
SeaBreeze is a device driver library that provides an interface to select Ocean Optics spectrometers. It is written in C/C++ and builds and runs on Windows (XP/7/8), MacOSX, and Linux (x86/x64/ARM). -
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schur
Interactive Program For Calculating Properties Of Symmetric Functions
Schur is a standalone program for interactively calculating properties of Lie groups and symmetric functions. Schur has been designed to answer questions of relevance to a wide range of problems of interest to chemists, mathematicians, computer scientists,... -
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A portable loudspeaker design system supporting measurement, modeling, simulation and optimization of boxes, filters and systems.
