colabfit/WS22_urea
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ColabFit
university
AI & ML interests
Development of data-driven interatomic potentials (DDIP/MLIP)
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ColabFit
About
ColabFit curates first principles datasets for training data-driven interatomic potentials based on machine learning.
Datasets are also hosted on the ColabFit Exchange at colabfit.org.
To suggest a dataset for inclusion in ColabFit, use the form on our GitHub page.
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models
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datasets
373
colabfit/WS22_dmabn
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colabfit/UNEP_v1_2023_train
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colabfit/SPICE_2023
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colabfit/JARVIS_QM9_STD_JCTC
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colabfit/JARVIS_Materials_Project_2020
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colabfit/JARVIS-QM9-DGL
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colabfit/COMP6v2-wB97MD3BJ-def2TZVPP
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colabfit/Alexandria_geometry_optimization_paths_PBE_1D
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colabfit/xxMD-CASSCF_train
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