Model Comparison Benchmark Datasets, Results, and Peptide MD Trajectory
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资源简介：
Contents of this database include: aib9.out.zip: zipped file containing raw output of the Aib9 OpenMM MD simulation aib9_openmm.zip: zipped folder containing all input files for the Aib9 OpenMM MD simulation, as well as the generated trajectory data_input.zip: zipped folder containing input datasets for the GMM and Aib9 numerical experiments data_output.zip: zipped folder containing output data and experimental results for three generative models (NS, CFM, DDPM) on the input datasets Please note: At this stage datasets are published here for completeness. A more user-friendly integrated Zenodo/GitHub pipeline will be released soon for easy benchmarking of generative models.
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Zenodo创建时间：
2024-11-13
