Search Results for "open-shell"
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Showing 335 open source projects for "open-shell"
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alphageometry
AI-driven neuro-symbolic solver for high-school geometry problems
AlphaGeometry, developed by Google DeepMind, is a theorem-proving system that combines symbolic reasoning with deep learning to solve challenging geometry problems, such as those found in mathematical Olympiads. The repository provides the full implementation of DDAR (Deductive Difference and Abductive Reasoning) and AlphaGeometry, two automated geometry solvers described in the 2024 Nature paper “Solving Olympiad Geometry without Human Demonstrations.” AlphaGeometry integrates a symbolic... -
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SciPy
SciPy library main repository
This is the main repository for the SciPy library, one of the core packages that make up the SciPy stack. SciPy is an open source software used in the fields of mathematics, science, and engineering, with modules for statistics, optimization, integration, linear algebra, signal and image processing, and many more. The SciPy library contains many of the user-friendly and efficient numerical routines, including those for numerical integration, interpolation, and optimization. ... -
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SymPy
A computer algebra system written in pure Python
SymPy is an open source Python library for symbolic mathematics. Its goal is to become a full-featured computer algebra system (CAS) while maintaining the simplicity of its code. Written entirely in Python, SymPy is easy to use, comprehensible and easily extensible. It’s also very lightweight as it solely depends on mpmath, a pure Python library for arbitrary floating point arithmetic. -
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statsmodels
Statsmodels, statistical modeling and econometrics in Python
...An extensive list of result statistics are available for each estimator. The results are tested against existing statistical packages to ensure that they are correct. The package is released under the open source Modified BSD (3-clause) license. Generalized linear models with support for all of the one-parameter exponential family distributions. Markov switching models (MSAR), also known as Hidden Markov Models (HMM). Vector autoregressive models, VAR and structural VAR. Vector error correction model, VECM. Robust linear models with support for several M-estimators. statsmodels supports specifying models using R-style formulas and pandas DataFrames. -
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DWSIM - Open Source Process Simulator
Simulate chemical processes using advanced thermodynamic models
DWSIM is an open source, CAPE-OPEN compliant chemical process simulator for Windows, Linux and macOS systems. Written in VB.NET and C#, DWSIM features a comprehensive set of unit operations, advanced thermodynamic models, support for reacting systems, petroleum characterization tools and a fully-featured graphical interface. DWSIM Pro is a commercial sibling of DWSIM built on top of open-source software. -
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Mathematics Dataset
This dataset code generates mathematical question and answer pairs
The Mathematics Dataset, developed by Google DeepMind, is a synthetic dataset designed to evaluate and train machine learning models on mathematical reasoning and symbolic manipulation. It generates question-and-answer pairs across a wide range of mathematical topics typically found in school-level curricula, testing a model’s ability to reason about algebra, arithmetic, calculus, probability, and more. Each question is programmatically generated with structured templates to ensure clear... -
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PyMC
Bayesian Modeling and Probabilistic Programming in Python
PyMC is a Python library for probabilistic programming focused on Bayesian statistical modeling and machine learning. Built on top of computational tools like Aesara and NumPy, PyMC allows users to define models using intuitive syntax and perform inference using MCMC, variational inference, and other advanced algorithms. It’s widely used in scientific research, data science, and decision modeling. -
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PyTensor
Python library for defining and optimizing mathematical expressions
PyTensor is a fork of Aesara, a Python library for defining, optimizing, and efficiently evaluating mathematical expressions involving multi-dimensional arrays. PyTensor is based on Theano, which has been powering large-scale computationally intensive scientific investigations since 2007. A hackable, pure-Python codebase. Extensible graph framework is suitable for rapid development of custom operators and symbolic optimizations. Implements an extensible graph transpilation framework that... -
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Manim Python
Animation engine for explanatory math videos
Manim is a Python library and animation engine designed for creating precise, programmatic mathematical visuals—famously used by 3Blue1Brown. It enables developers and educators to script animations using code and produce high-quality explanatory math videos. -
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Handcalcs
Python library for converting Python calculations into rendered latex
Handcalcs is a Python library that auto-renders calculation code in Jupyter notebooks or LaTeX documents with step-by-step symbolic substitution, giving output a “handwritten” feel. It supports cell magics and auto-LaTeX generation via configurable output options. -
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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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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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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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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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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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SOFA is a statistics, analysis, and reporting program with an emphasis on ease of use, learn as you go, and beautiful output.
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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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Minsky
System dynamics program with additional features for economics
Minsky brings system dynamics and monetary modelling to economics. Models are defined using flowcharts on a drawing canvas (as are Matlab's Simulink, Vensim, Stella, etc). Minsky's unique feature is the "Godley Table", which uses double entry bookkeeping to generate stock-flow consistent models of financial flows. Minsky is good for demonstrating mathematics too, with the most "math-like" interface in system dynamics. Sign up to Minsky's Patreon page (for as little as $1 a month) at... -
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seaborn
Statistical data visualization in Python
Seaborn is a Python data visualization library based on matplotlib. It provides a high-level interface for drawing attractive and informative statistical graphics. Seaborn helps you explore and understand your data. Its plotting functions operate on dataframes and arrays containing whole datasets and internally perform the necessary semantic mapping and statistical aggregation to produce informative plots. Its dataset-oriented, declarative API lets you focus on what the different elements of... -
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MCPower
MCPower — simple Monte Carlo power analysis for complex models
MCPower-GUI is a desktop application that provides a graphical interface for the MCPower Monte Carlo power analysis library. It guides users through the full workflow across three tabs: Model setup (formula input with live parsing, CSV data upload with auto-detected variable types, effect size sliders, and correlation editing), Analysis configuration (find power for a given sample size or find the minimum sample size for a target power, with multiple testing correction and scenario... -
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LabPlot
Data Visualization and Analysis
LabPlot is a FREE, open source and cross-platform Data Visualization and Analysis software accessible to everyone. -
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Digraph3
A collection of python3 modules for Algorithmic Decision Theory
This collection of Python3 modules provides a large range of implemented decision aiding algorithms useful in the field of outranking digraphs based Multiple Criteria Decision Aid (MCDA), especially best choice, linear ranking and absolute or relative rating algorithms with multiple incommensurable criteria. Technical documentation and tutorials are available under the following link: https://digraph3.readthedocs.io/en/latest/ The tutorials introduce the main objects like digraphs,... -
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FFTW++ is a C++ header class for the FFTW Fast Fourier Transform library that automates memory allocation, alignment, planning, wisdom, and communication on both serial and parallel (OpenMP/MPI) architectures. In 2D and 3D, hybrid dealiasing of convolutions substantially reduces memory usage and computation time. Wrappers for C, Python, and Fortran are included.
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Advanced Trigonometry Calculator
Precision Trigonometry: Advanced Calculator for Complex Math
Advanced Trigonometry Calculator is equipped with a user-friendly interface that allows for easy input of problems and instant computation. Professionals such as engineers who need to perform advanced trigonometric calculations in their work will find this tool extremely useful. ATC Online Alpha: https://advantrigoncalc.sourceforge.io/atc/ More info by clicking below: https://advantrigoncalc.sourceforge.io/ Advanced Trigonometry Calculator was only and always only developed by...
