cuRDF is an open-source Python library that provides CUDA-accelerated computation of radial distribution functions for molecular dynamics analysis. It integrates with PyTorch and supports neighbor lists, making it suitable for researchers in computational chemistry and physics.
cuRDF is an Other dev tools product. It focuses on accelerating and simplifying the computation of radial distribution functions for molecular dynamics using GPUs. It is built as an open-source project for computational chemists. cuRDF is open source under the MIT license. cuRDF is available on the command line.
cuRDF first shipped in 2025. Development happens publicly on GitHub with 31 stars and 7 commits in the last 90 days. Key capabilities include CUDA acceleration, radial distribution functions, and pyTorch integration.
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