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The fastest automatic differentiation library for C++, with Python bindings. Forward, adjoint and higher-order derivatives, checkpointing, Eigen support and JIT. Reproducible benchmarks against CppAD, Adept and autodiff.
Exascale multiphase flow solver — 2025 Gordon Bell Prize Finalist | 200T grid points on 43K+ GPUs
A thin layer of graphic data types
A High-Level Abstraction Framework for Quantum Algorithms
Benchmarking analysis of data integration tools
Parsers and algorithms for computational chemistry logfiles
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Multi-Omics Factor Analysis
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PyKEP is a scientific library providing basic tools for research in interplanetary trajectory design.
A model generator for energy system modelling and optimisation (LP/MILP).
GEARS is a geometric deep learning model that predicts outcomes of novel multi-gene perturbations
Iterative Linear Quadratic Regulator with auto-differentiatiable dynamics models
A simple script for fracturing polygons. Also adds nice helper functions for polygons like calculateArea, triangulate, getRandomPointsInPolygon, getBoundingRect)
Multibody dynamics tool kit.
A Rust port of NVIDIA's SMLib B-rep kernel (CAD subset): safe, deterministic, wasm-compatible
Universal cheminformatics toolkit, utilities and database search tools
Reference mapping for single-cell genomics
V library to develop Artificial Intelligence and High-Performance Scientific Computations
The fast Continuous Wavelet Transform (fCWT) is a library for fast calculation of CWT.
Python library for multilinear algebra and tensor factorizations
JavaScript helper functions for manipulating GeoJSON
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Quantum Computer Library for Everyone