Efficient Approximation of Molecular Kinetics using Random Fourier Features
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Dataset to accompany the paper "Efficient Approximation of Molecular Kinetics using Random Fourier Features", Journal of Chemical Physics 159, 074105 (2023), https://doi.org/10.1063/5.0162619. Contains source code, input data, and result files. The data are compressed to a single zip file to preserve directory structure. See README file for detailed description of individual files. To automatically download and create the computational environment, pull the latest docker image from https://hub.docker.com/r/fnueske/23_jcp_rff_data/ and run the following command in terminal: docker run --rm -p 8888:8888 mk-rff:latest
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Zenodo创建时间：
2023-10-02
