MLFF_GMP
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资源简介：
Contains all code and data for replicating the results found in the paper "Overcoming the chemical complexity bottleneck in on-the-fly machine learned molecular dynamics simulations." The included readme provides a high level overview of the structure. All data files are in the standard SPARC io format and were generated using the codes linked in the readme. This repository serves as a standalone source for all data and analysis code.
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Zenodo创建时间：
2024-05-24
