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fastatomstruct: A High-Performance Library for Structural and Dynamical Analysis of Atomic Systems
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CUDA-METRO: Parallel Metropolis Monte Carlo for 2D Atomistic Spin Texture Simulation
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DeepHyper: A Python Package for Massively Parallel Hyperparameter Optimization in Machine Learning
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published Published 3 months ago
VibIR-Parallel-Compute: Enhancing Vibration and Infrared Analysis in High-Performance Computing Environments
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published Published 4 months ago
Caffeine: A parallel runtime library for supporting modern Fortran compilers
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published Published 5 months ago
DisCoTec: Distributed higher-dimensional HPC simulations with the sparse grid combination technique
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jax-smfsb: A Python library for stochastic systems biology modelling and inference
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published Published 8 months ago
OpenMD: A parallel molecular dynamics engine for complex systems and interfaces
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published Published 8 months ago