weight_test300k
收藏kaggle2024-04-22 更新2024-04-26 收录
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2024-04-22
相关数据集
test-data-300k
kaggle2021-07-14 更新00
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Test set of decorrelated geometries sampled from 300 K xTB MD. Acetylacetone dataset generated from a long molecular dynamics simulation at 300 K using a Langevin thermostat at the semi-empirical GFN2
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BOTnet ACAC 2022 test 300K MD
Test set of decorrelated geometries sampled from 300 K xTB MD. Acetylacetone dataset generated from a long molecular dynamics simulation at 300 K using a Langevin thermostat at the semi-empirical GFN2
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