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colabfit/JARVIS_QM9_STD_JCTC

Viewer • Updated May 30 • 131k • 4

colabfit/SPICE_2023

Viewer • Updated May 30 • 117k • 6

colabfit/UNEP_v1_2023_train

Viewer • Updated May 30 • 105k • 9

colabfit/WS22_dmabn

Viewer • Updated May 30 • 120k • 4

colabfit/WS22_urea

Viewer • Updated May 30 • 120k • 40

colabfit/OMol25_neutral_validation

Viewer • Updated 13 days ago • 27.7k • 81

colabfit/ANI-1x

Viewer • Updated 12 days ago • 309k • 85

colabfit/QM-22_Ethanol

Viewer • Updated 12 days ago • 11k • 69

colabfit/QM-22_Glycine

Viewer • Updated 12 days ago • 70.1k • 78

colabfit/QM-22_Malonaldehyde

Viewer • Updated 12 days ago • 11.1k • 69

colabfit/QM-22_Methane

Viewer • Updated 12 days ago • 9k • 67

colabfit/QM-22_N-methyl_acetamide

Viewer • Updated 12 days ago • 6.61k • 67

colabfit/QM-22_Tropolone

Viewer • Updated 12 days ago • 6.77k • 68

colabfit/QM-22_n-syn-CH3CHOO

Viewer • Updated 12 days ago • 159k • 80

colabfit/QM-22_n-tetradecane_test

Viewer • Updated 12 days ago • 89.6k • 77

colabfit/QM-22_n-tetradecane_train

Viewer • Updated 12 days ago • 254k • 81

colabfit/QM-22_Acetaldehyde_singlet

Viewer • Updated 12 days ago • 203k • 83

colabfit/QM-22_Acetaldehyde_triplet

Viewer • Updated 12 days ago • 51.5k • 73

colabfit/QM-22_H2CO_to_cis_and_trans_HCOH

Viewer • Updated 12 days ago • 34.8k • 70

colabfit/QM-22_Hydronium

Viewer • Updated 12 days ago • 32.1k • 73

colabfit/QM-22_OCHCO_cation

Viewer • Updated 12 days ago • 7.8k • 69

colabfit/Alex_MP-20_test

Viewer • Updated 7 days ago • 67.5k • 58

colabfit/Alex_MP-20_validation

Viewer • Updated 7 days ago • 67.5k • 63

colabfit/OMol25_train_4M

Viewer • Updated 7 days ago • 3.99M • 93

colabfit/OC20_IS2RES_val_ood_cat

Viewer • Updated 5 days ago • 5.15M • 71

colabfit/OC20_IS2RES_val_id

Viewer • Updated 5 days ago • 5.02M • 68

colabfit/OC20_IS2RES_val_ood_ads

Viewer • Updated 4 days ago • 4.88M • 61