Search Results for "open-shell"
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Showing 212 open source projects for "open-shell"
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MuJoCo
Multi-Joint dynamics with Contact. A general purpose physics simulator
MuJoCo, developed and maintained by Google DeepMind, is a high-performance physics engine designed for simulating complex, articulated systems that interact through contact. It is widely used in research fields such as robotics, biomechanics, computer graphics, animation, and machine learning, where fast and accurate physics simulations are essential. The engine provides a robust C API optimized for real-time computation, making it suitable for scientific research and advanced simulation... -
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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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Get Physics Done (GPD)
The first open-source agentic AI physicist
Get Physics Done (GPD) is an open-source project designed to accelerate scientific research in physics by leveraging modern computational tools and automation techniques. It aims to simplify the process of performing simulations, calculations, and experimental analysis by providing structured workflows that integrate computational physics methods with reproducible research practices. -
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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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Physical Symbolic Optimization (Φ-SO)
Physical Symbolic Optimization
Physical Symbolic Optimization (Φ-SO) - A symbolic optimization package built for physics. Symbolic regression module uses deep reinforcement learning to infer analytical physical laws that fit data points, searching in the space of functional forms. -
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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. -
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antoniovandre_eval GUI
Uma calculadora desenvolvida em C, com interface gráfica em Python.
Uma calculadora desenvolvida em C, com interface gráfica em Python. -
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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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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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KherveFitting
Fit X-ray Photoelectron Spectroscopy (XPS) and XAS data
KherveFitting is a full featured XPS, XAS and Raman fitting software for Windows & macOS that is simple and easy to use. KherveFitting can open Excel files (.xlsx) or import/convert .vms, .avg, .kal, .spe (Thermo, Kratos, Specs, Scienta, Omicron, Phi) files into Excel format. 5 background types available: Tougaard, Shirley, Smart, Adaptive Smart. Various peak fitting models: Product and Sum of Gaussian and Lorentzian (GL & SGL), Voigt, Asymmetric Lorentzian (LA), Doniac-Sunjic (G*DS) and many more . ... -
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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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GenX
X-Ray and Neutron Reflectivity Modeling
GenX is a scientific program to refine x-ray refelcetivity, neutron reflectivity and surface x-ray diffraction data using the differential evolution algorithm. GenX is very modular and highly extensible and can be used as a general fitting program. -
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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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GeigerLog
Python program for Geiger counters and Environmental Sensors
GeigerLog is a combination of data logger, presenter, and analyzer, and is now released in version 2.1! Based on Python (Version 3), it runs on Linux, Windows, Macs, Raspberry Pi, and other. GeigerLog is WiFi-enabled for servers and clients; it can be monitored by SmartPhone. Initially developed for Geiger counters, it is now a more universal tool, which equally well handles data like temperature, air-pressure, humidity, CO2. Continues to support Geiger counters like GQ Electronic's... -
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xrayutilities
a package with useful scripts for X-ray diffraction physicists
xrayutilities is a python package used to analyze x-ray diffraction data. It can support with performing diffraction experiments and used for common steps in the data analysis. It can read experimental data from several data formats (spec, edf, xrdml, ...); convert them to reciprocal space for arbitrary goniometer geometries and different detector systems (point, linear as well as area detectors); for further processing the data can be gridded (transformed to a regular grid). More... -
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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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Mantid Project (www.mantidproject.org)
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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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Fosite - advection problem solver
numerical simulation code for solving transport equations in 1D/2D/3D
Fosite is a generic framework for the numerical solution of hyperbolic conservation laws in generalized orthogonal coordinates. Its main purpose is the simulation of compressible flows in accretion disks. The underlying numerical solution method belongs to the family of unsplit conservative finite volume TVD schemes. The method is 2nd order accurate in space and uses high order Runge-Kutta and multistep schemes for time evolution. In addition to the pure advection code several source terms... -
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OD-Lens (Lite)
Optical Mini Calculator
Calculating the fundamental optical parameters of a lens. It provides an intuitive graphical interface for optical engineers, photographers, and students to explore the relationships between focal length, field of view, sensor size, and aperture. The user selects which parameter they want to calculate, and the program automatically computes it using the provided values. Parameters are recalculated instantly as you type, providing immediate feedback. -
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pyphoebusalarm
A Python package to create alarm configurations for EPICS Phoebus..
A Python package to create alarm configurations for Phoebus (https://controlssoftware.sns.ornl.gov/css_phoebus) Use pip to install the package, alternatively you can run the convert_alh.py script directly. This package has two intended usages: Converting Alarm Handler configurations to Phoebus and facilitating the creation of Phoebus alarm configs with Python scripts. Run `python convert_alh.py -h` to see about the scripts usage for converting alh to phoebus configs. See the... -
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sidmon5.net
Sudden ionospheric disturbance monitor with Stokes data product
This package is a VLF receiver for monitoring VLF transmitter signals for evidence of transients indicating ionospheric disturbances, usually caused by x-ray bursts from the sun. It takes sample pairs from dual-channel sound cards and spectrally processes them to Stokes parameters. Data are plotted as time series and in scatter plots. -
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This project delivers Linux support (USB driver and Tools) for a Digital Signal Processor (DSP) cards of the Signal Ranger series, see http://www.softdb.com/product_dsp.shtml for details) connected to a Linux host via USB.
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Tempico software
Software to control and analyze Tausand Tempico TP1004 timing data
Tempico Software is designed to control the Tausand Tempico TP1004 device, a time-to-digital converter that captures temporal differences from a common start signal across multiple channels. The software generates histograms from captured data, supports lifetime measurements via single-photon correlation (SPC), and displays real-time graphs with adjustable fitting options. It also includes a 'Counts Estimated' panel to estimate count rates per channel over time. Users can view, configure,... -
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QUCAS-PDP Astronomical Image Framework
After 4/15/26 this project will be archived as 9 pipelines are conso
A collection of four interconnected open‑source projects that explore the quantum nature of the universe – from the early cosmos to extreme astrophysical environments. 📸 Live Demo The application is deployed on Streamlit Cloud: Live App test now: https://huggingface.co/spaces/QCAUS/QCAUS QCI AstroEntangle Refiner – FDM soliton physics & image processing Magnetar QED Explorer – Magnetar fields, dark photons & vacuum QED Primordial Photon–DarkPhoton Entanglement – Von Neumann evolution in an expanding universe QCIS (Quantum Cosmology Integration Suite) – Quantum‑corrected cosmological perturbations 🔭 Overview These four projects form a complete computational framework for quantum‑inspired astrophysics. ...
