IL-MLIP-Benchmark: Ionic Liquid Machine-Learned Interatomic Potential Benchmark
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资源简介：
First benchmark dataset of ionic liquid (IL) cation-anion pairs for machine-learned interatomic potentials. 435 clean conformations across 8 IL combinations at B3LYP/STO-3G. v1.5.0 adds learning-curve data for the equivariance substitutability law.
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Zenodo创建时间：
2026-08-19
