Search Results for "open-shell" - Page 5
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Showing 13376 open source projects for "open-shell"
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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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Oscar.jl
A comprehensive open source computer algebra system for computations
Welcome to the OSCAR project, a visionary new computer algebra system that combines the capabilities of four cornerstone systems: GAP, Polymake, Antic and Singular. OSCAR requires Julia 1.6 or newer. In principle it can be installed and used like any other Julia package; doing so will take a couple of minutes. A comprehensive open source computer algebra system for computations in algebra, geometry, and number theory. -
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AWS Data Wrangler
Pandas on AWS, easy integration with Athena, Glue, Redshift, etc.
An AWS Professional Service open-source python initiative that extends the power of Pandas library to AWS connecting DataFrames and AWS data-related services. Easy integration with Athena, Glue, Redshift, Timestream, OpenSearch, Neptune, QuickSight, Chime, CloudWatchLogs, DynamoDB, EMR, SecretManager, PostgreSQL, MySQL, SQLServer and S3 (Parquet, CSV, JSON, and EXCEL). -
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Symbolics.jl
Symbolic programming for the next generation of numerical software
Symbolics.jl is a high-performance symbolic computation library for the Julia programming language. It enables users to define, manipulate, and analyze mathematical expressions symbolically, with strong support for symbolic differentiation, simplification, equation solving, and code generation. Designed for use in scientific computing, machine learning, and engineering, Symbolics.jl integrates smoothly with Julia’s numerical ecosystem, allowing symbolic expressions to be compiled and... -
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ElectronBot
ElectronBot is a mini desktop robot
ElectronBot is a desktop-scale robot platform designed for enthusiasts and makers, combining robotics, embedded systems, display, and gesture sensing into a compact mechanical “tool bot”. The project features six degrees of freedom (rotational axes) for arms, neck, and body, allowing expressive motion beyond simple head-tilt or arm-wave. It includes USB communication and a built-in display, enabling it to respond to host computer inputs and act as an interactive peripheral rather than just a... -
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FieldTrip
The MATLAB toolbox for MEG, EEG and iEEG analysis
FieldTrip is the MATLAB software toolbox for MEG, EEG and iEEG analysis, which is released free of charge as open source software under the GNU general public license. FieldTrip is developed by members and collaborators of the Donders Institute for Brain, Cognition, and Behaviour at Radboud University, Nijmegen, the Netherlands. The toolbox offers advanced analysis methods of MEG, EEG, and invasive electrophysiological data, such as time-frequency analysis, source reconstruction using dipoles, distributed sources and beamformers and non-parametric statistical testing. ... -
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OpenQASM
Quantum assembly language for extended quantum circuits
OpenQASM is an imperative programming language designed for near-term quantum computing algorithms and applications. Quantum programs are described using the measurement-based quantum circuit model with support for classical feed-forward flow control based on measurement outcomes. OpenQASM presents a parameterized set of physical logic gates and concurrent real-time classical computations. Its main goal is to serve as an intermediate representation for higher-level compilers to communicate... -
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BioEmu
Inference code for scalable emulation of protein equilibrium ensembles
Biomolecular Emulator (BioEmu for short) is a model that samples from the approximated equilibrium distribution of structures for a protein monomer, given its amino acid sequence. By default, unphysical structures (steric clashes or chain discontinuities) will be filtered out, so you will typically get fewer samples in the output than requested. The difference can be very large if your protein has large disordered regions, which are very likely to produce clashes. BioEmu outputs structures... -
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AlphaGenome
Programmatic access to the AlphaGenome model
The AlphaGenome API provides access to AlphaGenome, Google DeepMind’s unifying model for deciphering the regulatory code within DNA sequences. This repository contains client-side code, examples, and documentation to help you use the AlphaGenome API. AlphaGenome offers multimodal predictions, encompassing diverse functional outputs such as gene expression, splicing patterns, chromatin features, and contact maps. The model analyzes DNA sequences of up to 1 million base pairs in length and can... -
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Dshell
Dshell is a network forensic analysis framework
An extensible network forensic analysis framework. Enables rapid development of plugins to support the dissection of network packet captures. This is a major framework update to Dshell. Plugins written for the previous version are not compatible with this version, and vice versa. By extension, dpkt and pypcap have been replaced with Python3-friendly pypacker and pcapy (respectively). Enables development of external plugin packs, allowing the sharing and installation of new,... -
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kallisto
Near-optimal RNA-Seq quantification
kallisto is a program for near-optimal quantification of transcript abundances from RNA-Seq data, or more generally of target sequences using high-throughput sequencing reads. It is based on the idea of using pseudoalignment to quickly determine reads and targets’ compatibility, with no need for alignment. According to benchmarks done on a Mac desktop computer, kallisto can quantify 30 million human bulk RNA-seq reads in less than 3 minutes with just the read sequences and a... -
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Quantum++
Modern C++ quantum computing library
Quantum++ is a modern C++ general-purpose quantum computing library, composed solely of template header files. Quantum++ is written in standard C++17 and has very low external dependencies, using only the Eigen 3 linear algebra header-only template library and, if available, the OpenMP multiprocessing library. Quantum++ is not restricted to qubit systems or specific quantum information processing tasks, being capable of simulating arbitrary quantum processes. The main design factors taken in... -
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WS2812FX
WS2812 FX library for Arduino and ESP8266
This library features a variety of blinken effects for the WS2811/WS2812/NeoPixel LEDs. It is meant to be a drop-in replacement for the Adafruit NeoPixel library with additional features. You can search for WS2812FX in the Arduino IDE Library Manager or install the latest (or development) version manually. More complex effects can be created by dividing your string of LEDs into segments (up to ten) and programming each segment independently. Use the segment() function to program each... -
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TURF
A modular geospatial engine written in JavaScript
Turf is a JavaScript library for spatial analysis. It includes traditional spatial operations, helper functions for creating GeoJSON data, and data classification and statistics tools. Turf can be added to your website as a client-side plugin, or you can run Turf server-side with Node.js. Modular, simple-to-understand JavaScript functions that speak GeoJSON. Turf is a collection of small modules, you only need to take what you want to use. Takes advantage of the newest algorithms and doesn't... -
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PyQuil
A Python library for quantum programming using Quil
PyQuil is a Python library for quantum programming using Quil, the quantum instruction language developed at Rigetti Computing. PyQuil serves three main functions. PyQuil has a ton of other features, which you can learn more about in the docs. However, you can also keep reading below to get started with running your first quantum program. Without installing anything, you can quickly get started with quantum programming by exploring our interactive Jupyter Notebook tutorials and examples. To... -
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CUTLASS
CUDA Templates for Linear Algebra Subroutines
CUTLASS is a collection of CUDA C++ template abstractions for implementing high-performance matrix-multiplication (GEMM) and related computations at all levels and scales within CUDA. It incorporates strategies for hierarchical decomposition and data movement similar to those used to implement cuBLAS and cuDNN. CUTLASS decomposes these "moving parts" into reusable, modular software components abstracted by C++ template classes. These thread-wide, warp-wide, block-wide, and device-wide... -
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TinyGSM
A small Arduino library for GSM modules, that just works
A small Arduino library for GSM modules that just works. This library is easy to integrate with lots of sketches that use Ethernet or WiFi. PubSubClient (MQTT), Blynk, HTTP Client, and File Download examples are provided. Arduino GSM library uses 15868 bytes (49%) of Flash and 1113 bytes (54%) of RAM in a similar scenario. TinyGSM also pulls data gently from the modem (whenever possible), so it can operate on very little RAM. Now, you have more space for your experiments. TCP (HTTP, MQTT,... -
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OpenGL Mathematics
Highly Optimized Graphics Math (glm) for C
Highly optimized 2D|3D math library, also known as OpenGL Mathematics (glm) for `C`. cglm provides lot of utils to help math operations to be fast and quick to write. It is community-friendly, feel free to bring any issues, bugs you faced. Almost all functions (inline versions) and parameters are documented inside the corresponding headers. OpenGL-related functions are dropped to make this lib platform/third-party independent. Make sure you have the latest version and feel free to report... -
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HomeRobot
Mobile manipulation research tools for roboticists
...It provides interfaces for Detic, Grounded-SAM, and Contact-GraspNet, allowing open-vocabulary detection and 3D grasping. -
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OpenLoco
An open source re-implementation of Chris Sawyer's Locomotion
An open source re-implementation of Chris Sawyer's Locomotion. A construction and management simulation video game that simulates running a transport company. OpenLoco is an open-source re-implementation of Chris Sawyer's Locomotion (CSL), the spiritual successor to Transport Tycoon. OpenLoco aims to improve the game similar to how OpenTTD improved Transport Tycoon, and OpenRCT2 improved RollerCoaster Tycoon. -
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QuTiP
QuTiP: Quantum Toolbox in Python
QuTiP is open-source software for simulating the dynamics of open quantum systems. The QuTiP library depends on the excellent Numpy, Scipy, and Cython numerical packages. In addition, graphical output is provided by Matplotlib. QuTiP aims to provide user-friendly and efficient numerical simulations of a wide variety of Hamiltonians, including those with arbitrary time-dependence, commonly found in a wide range of physics applications such as quantum optics, trapped ions, superconducting circuits, and quantum nanomechanical resonators. ... -
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Superstaq
Quantum software platform that is optimized across the quantum stack
This repository is the home of the Superstaq development team's open-source work. Our quantum software platform is optimized across the quantum stack and enables users to write quantum programs in Cirq or Qiskit and target a variety of quantum computers and simulators. -
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Plausible Analytics
Simple, open-source, lightweight and privacy-friendly web analytics
Plausible is lightweight and open-source web analytics. No cookies and fully compliant with GDPR, CCPA and PECR. Made and hosted in the EU, powered by European-owned cloud infrastructure. Frustrated with Google Analytics? So are we and that's why we built Plausible Analytics, a simple, lightweight (< 1 KB), open source, and privacy-friendly alternative that doesn't come from the adtech world. -
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Science Plots
Matplotlib styles for scientific plotting
Matplotlib styles for scientific figures. This repo has Matplotlib styles to format your figures for scientific papers, presentations, and theses. -
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SymbolicNumericIntegration.jl
SymbolicNumericIntegration.jl: Symbolic-Numerics for Solving Integrals
SymbolicNumericIntegration.jl is a hybrid symbolic/numerical integration package that works on the Julia Symbolics expressions.
