Search Results for "open-shell" - Page 3
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Showing 2179 open source projects for "open-shell"
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Mitiq
Mitiq is an open source toolkit for implementing error mitigation
Mitiq is a Python toolkit for implementing error mitigation techniques on quantum computers. Current quantum computers are noisy due to interactions with the environment, imperfect gate applications, state preparation and measurement errors, etc. Error mitigation seeks to reduce these effects at the software level by compiling quantum programs in clever ways. -
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Orca Core
Core Python Controller of the ORCA Hand
Orca Core is the central Python control framework for the ORCA Hand, an open-source dexterous robotic hand designed to replicate human-like manipulation capabilities. It provides a high-level abstraction layer over the underlying hardware, allowing developers to interact with the robotic system through simplified joint-space commands rather than low-level motor instructions. The software includes a suite of scripts for calibration, tensioning, and positioning, ensuring that the physical hand operates accurately and consistently across different configurations. ... -
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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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Swift Numerics
Advanced mathematical types and functions for Swift
Swift Numerics is a foundational library that extends the Swift standard library with essential numerical protocols, types, and functions needed for scientific and systems programming. It defines generic abstractions over real and complex numbers so algorithms can be written once and work across concrete floating-point types. The package includes RealModule utilities and a full Complex type with the expected arithmetic and transcendental functions, bridging a long-standing gap for numerics... -
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City Map Poster Generator
Transform your favorite cities into beautiful, minimalist designs
maptoposter is a code-driven poster generator that turns any city into a minimalist, print-style map artwork with consistent typography and themed color palettes. It is built around a simple command-line flow where you pass a city and country, and the tool fetches the relevant map geometry and renders it into a clean composition that looks like a design product rather than a raw GIS export. The repository includes a library of predefined themes that change the overall look (for example,... -
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PyTorch Geometric
Geometric deep learning extension library for PyTorch
It consists of various methods for deep learning on graphs and other irregular structures, also known as geometric deep learning, from a variety of published papers. In addition, it consists of an easy-to-use mini-batch loader for many small and single giant graphs, a large number of common benchmark datasets (based on simple interfaces to create your own), and helpful transforms, both for learning on arbitrary graphs as well as on 3D meshes or point clouds. We have outsourced a lot of... -
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PyTorch Geometric Temporal
Spatiotemporal Signal Processing with Neural Machine Learning Models
The library consists of various dynamic and temporal geometric deep learning, embedding, and Spatio-temporal regression methods from a variety of published research papers. Moreover, it comes with an easy-to-use dataset loader, train-test splitter and temporal snaphot iterator for dynamic and temporal graphs. The framework naturally provides GPU support. It also comes with a number of benchmark datasets from the epidemiological forecasting, sharing economy, energy production and web traffic... -
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Vedo
A python module for scientific analysis of 3D data
A lightweight and powerful python module for scientific analysis and visualization of 3d objects. Inspired by the vpython manifesto "3D programming for ordinary mortals", vedo makes it easy to work with 3D pointclouds, meshes and volumes, in just a few lines of code, even for less experienced programmers. vedo is based on VTK and numpy, with no other dependencies. Import meshes from VTK format, STL, Wavefront OBJ, 3DS, Dolfin-XML, Neutral, GMSH, OFF, PCD (PointCloud). Export meshes as ASCII... -
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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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NVIDIA Isaac GR00T
NVIDIA Isaac GR00T N1.5 is the world's first open foundation model
NVIDIA Isaac‑GR00T N1.5 is an open-source foundation model engineered for generalized humanoid robot reasoning and manipulation skills. It accepts multimodal inputs—such as language and images—and uses a diffusion transformer architecture built upon vision-language encoders, enabling adaptive robot behaviors across diverse environments. It is designed to be customizable via post-training with real or synthetic data. -
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go1pylib
go1pylib is a Python library designed to control the Go1 robot
go1pylib is a Python library designed to control the Go1 robot by Unitree Robotics. It provides an easy-to-use interface for robot movement, state management, collision avoidance, battery monitoring, and MQTT communication. Ideal for research and robotics development. -
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Tequila
A High-Level Abstraction Framework for Quantum Algorithms
Tequila is an abstraction framework for (variational) quantum algorithms. It operates on abstract data structures allowing the formulation, combination, automatic differentiation and optimization of generalized objectives. Tequila can execute the underlying quantum expectation values on state-of-the-art simulators as well as on real quantum devices. -
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Shynet
Modern, privacy-friendly, and detailed web analytics
...You host it yourself, so the data is yours. It works without cookies, so you don't need any intrusive cookie notices. It collects just enough data to be useful, but not enough to be creepy. It's open source and intended to be self-hosted. And you may even find the interface easy to use. -
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Protenix
A trainable PyTorch reproduction of AlphaFold 3
Protenix is an open-source, trainable PyTorch reimplementation of AlphaFold 3, developed by ByteDance with the goal of democratizing high-accuracy protein structure prediction for computational biology and drug-discovery research. Protenix provides a complete pipeline for turning protein sequences (with optional MSA / sequence alignment) or structural inputs (e.g. -
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Selenium-python Helium
Selenium-python but lighter: Helium is the best Python library
...Helium ships with its own copies of ChromeDriver and geckodriver so you don't need to download and put them on your PATH. Unlike Selenium, Helium lets you interact with elements inside nested iFrames, without having to first "switch to" the iFrame. Helium notices when popups open or close and focuses / defocuses them like a user would. You can also easily switch to a window by (parts of) its title. -
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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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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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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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CycleGAN and pix2pix in PyTorch
Image-to-Image Translation in PyTorch
CycleGAN and pix2pix in PyTorch repository is a PyTorch implementation of two influential image-to-image translation frameworks: CycleGAN (for unpaired translation) and pix2pix (for paired translation). This repo gives developers and researchers a convenient, modern (PyTorch-based) platform to train and test these methods — supporting both paired datasets (input to output) and unpaired datasets (domain-to-domain) with minimal changes. The code supports standard training and inference... -
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DeepXDE
A library for scientific machine learning & physics-informed learning
DeepXDE is a library for scientific machine learning and physics-informed learning. DeepXDE includes the following algorithms. Physics-informed neural network (PINN). Solving different problems. Solving forward/inverse ordinary/partial differential equations (ODEs/PDEs) [SIAM Rev.] Solving forward/inverse integro-differential equations (IDEs) [SIAM Rev.] fPINN: solving forward/inverse fractional PDEs (fPDEs) [SIAM J. Sci. Comput.] NN-arbitrary polynomial chaos (NN-aPC): solving... -
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JAX
Composable transformations of Python+NumPy programs
With its updated version of Autograd, JAX can automatically differentiate native Python and NumPy functions. It can differentiate through loops, branches, recursion, and closures, and it can take derivatives of derivatives of derivatives. It supports reverse-mode differentiation (a.k.a. backpropagation) via grad as well as forward-mode differentiation, and the two can be composed arbitrarily to any order. What’s new is that JAX uses XLA to compile and run your NumPy programs on GPUs and... -
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DeepChem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, etc
DeepChem aims to provide a high-quality open-source toolchain that democratizes the use of deep learning in drug discovery, materials science, quantum chemistry, and biology. DeepChem currently supports Python 3.7 through 3.9 and requires these packages on any condition. DeepChem has a number of "soft" requirements. If you face some errors like ImportError: This class requires XXXX, you may need to install some packages. -
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ChemCrow
Chemcrow
ChemCrow is an AI-powered framework designed to assist in chemical research and discovery. It integrates AI models with chemical knowledge bases to provide intelligent recommendations for synthesis planning, reaction prediction, and material discovery. This tool helps automate and accelerate research in computational chemistry and drug development. -
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GeographicLib
Geographic library
GeographicLib is a small C++ library for: geodesic and rhumb line calculations; conversions between geographic, UTM, UPS, MGRS, geocentric, and local cartesian coordinates; gravity (e.g., EGM2008) and geomagnetic field (e.g., WMM2020) calculations. -
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PySchool
Installable / Portable Python Distribution for Everyone.
PySchool is a free and open-source Python distribution intended primarily for students who learn Python and data analysis, but it can also used by scientists, engineering, and data scientists. It includes more than 150 Python packages (full edition) including numpy, pandas, scipy, sympy, keras, scikit-learn, matplotlib, seaborn, beautifulsoup4...
