PyTensor allows you to define, optimize, and efficiently evaluate mathematical expressions involving multi-dimensional arrays.
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Dec 13, 2025 - Python
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computational-science
Here are 217 public repositories matching this topic...
Linear Algebra project from TripleTen
python data-science typescript numpy cuda data-visualization nvidia blas eigenvectors computational-science matrix-calculations gram-schmidt linear-transformations symmetric-matrices
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Dec 13, 2025
Lightweight, general, scalable C++ library for finite element methods
hpc parallel-computing scientific-computing high-performance-computing amr fem finite-elements computational-science high-order math-physics radiuss
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Dec 13, 2025 - C++
Freeware notebook interface for Wolfram Language written in Javascript
gui notebook mathematica plotting computational-science interactive-visualizations wolfram-language javascript-project
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Dec 12, 2025 - HTML
The official repository for the AiiDA code
ssh workflow database workflow-engine scheduler provenance aiida computational-science workflows data-provenance
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Dec 12, 2025 - Python
SimTK OpenSim C++ libraries and command-line applications, and Java/Python wrapping.
science engineering simulation biological-simulations computational-biology biomechanics computational-science musculoskeletal-models
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Dec 11, 2025 - C++
UQ Group (Director: Hadi Meidani)
machine-learning deep-neural-networks research deep-learning uncertainty stochastic uiuc computational-science uncertainty-quantification smart-cities illinois civil-engineering scientific-machine-learning physics-informed hadi-meidani pinns
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Dec 11, 2025 - CSS
Tools for simplifying daily work with the AiiDA workflow engine
workflow data-science utility dft toolkit pandas provenance density-functional-theory aiida materials-science materials-informatics high-throughput computational-science forschungszentrum-juelich computational-materials-science judft
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Dec 10, 2025 - Python
ReproZip is a tool that simplifies the process of creating reproducible experiments from command-line executions, a frequently-used common denominator in computational science.
python linux docker science vagrant reproducible-research archiving reproducible-science scientific-computing ptrace reproducibility computational-science reprozip reprounzip hacktoberfest nyu
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Dec 8, 2025 - Python
Prospr is a universal toolbox for protein structure prediction within the HP-model. The Python package is based on a C++ core, which gives Prospr its high performance. The C++ core is made available as a separate zip file to facilitate high-performance computing applications. The package comes with many prediction algorithms and datasets to use.
python package bioinformatics cpp toolbox protein high-performance-computing datasets computational-science structure-prediction protein-folding protein-structure-prediction
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Dec 7, 2025 - C++
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
chemistry cheminformatics molecular-structures computational-chemistry reactions materials-science molecular-evolution computational-science molecular-modeling materials-screening materials-discoveries materials-design
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Dec 4, 2025 - Python
Thesis for the Computational Science Master's program at Central Washington University. 3D extension of an analog of cosmological particle creation in a Friedmann-Robertson-Walker universe by numerically simulating a Bose-Einstein condensate with a time-dependent scattering length.
julia physics parallel-computing mathematica scientific-computing computational-physics high-performance-computing cosmology differential-equations gpu-computing computational-science cluster-computing bose-einstein-condensate
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Dec 4, 2025 - TeX
A distributed and GPU-based implementation of the Parareal algorithm for parallel-in-time integration of equations of motion.
simulation accelerator parallel-computing distributed-computing cuda ode computational-physics high-performance-computing gpu-computing ordinary-differential-equations pde computational-science julialang parareal partial-differential-equation differential-equation-solvers parallel-in-time-integration
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Dec 4, 2025 - Julia
🐢 Interface for Running NetLogo Simulations from R
data-science tidyverse rstats apis simulations agent-based-modeling system-dynamics computational-science netlogo multi-agent-systems computational-social-science r-packages behaviorspace complexity-science environmental-modeling ecological-modeling individual-based-modeling headless-execution
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Dec 3, 2025 - R
Software Development and Artificial intelligence
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Dec 3, 2025 - C
Scripts to prepare and analyze molecular dynamics simulations
science gplv3 molecular-dynamics computational-biology python3 computational-chemistry molecular-simulation computational-physics molecular-dynamics-simulation scripts-collection materials-science python-scripts computational-science trajectory-analysis mdanalysis molecular-mechanics molecular-modeling
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Dec 1, 2025 - Python
Homepage of Dr Stephen P. Moss, Computational Scientist
science website bioinformatics research medicine genomics homepage computational-biology computing molecular-evolution computational-science computational-genomics gawbul
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Nov 30, 2025 - HTML
High-performance finite element toolbox in Julia
hpc julia metaprogramming mpi scientific-computing code-generation computational-science finite-element-methods pdes
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Dec 12, 2025 - Julia
Crack Analysis Tool in Python (CrackPy) - automatic detection and fracture mechanical analysis of (fatigue) cracks using digital image correlation
computational-science crack-detection fracture-mechanics digital-image-correlation fatigue-crack-growth zeiss-inspect
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Nov 25, 2025 - Python
Lightweight OpenGL tool for accurate and flexible finite element visualization
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Dec 5, 2025 - C++
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