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colabfit/GFN-xTB_JCIM_2021
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Updated
Nov 18, 2025
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157k
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1
colabfit/H_nature_2022
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Updated
Nov 18, 2025
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660k
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1
colabfit/ISO17_NC_2017
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Updated
Nov 18, 2025
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641k
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2
colabfit/JARVIS_CFID_OQMD
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Updated
Nov 18, 2025
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362k
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8
colabfit/JARVIS_OQMD_no_CFID
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Updated
Nov 18, 2025
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812k
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4
colabfit/JARVIS_Open_Catalyst_100K
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Updated
Nov 18, 2025
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125k
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2
colabfit/JARVIS_QE_TB
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Oct 16, 2025
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830k
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3
colabfit/Matbench_mp_e_form
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Updated
Nov 18, 2025
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133k
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18
colabfit/Matbench_mp_gap
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Updated
Nov 18, 2025
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106k
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60
colabfit/OC20_S2EF_train_200K
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Updated
Oct 17, 2025
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200k
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3
colabfit/OC20_S2EF_val_id
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Updated
Oct 17, 2025
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1,000k
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1
colabfit/OC20_S2EF_val_ood_cat
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Updated
Oct 17, 2025
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800k
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3
colabfit/OC22-IS2RE-Validation-out-of-domain
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Updated
Nov 18, 2025
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521k
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7
colabfit/OC22-S2EF-Validation-in-domain
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Updated
Nov 18, 2025
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406k
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3
colabfit/OC22-S2EF-Validation-out-of-domain
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Updated
Nov 18, 2025
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458k
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15
colabfit/OMat24_validation_aimd-from-PBE-1000-npt
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Updated
Oct 17, 2025
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203k
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3
colabfit/OMat24_validation_aimd-from-PBE-1000-nvt
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Updated
Oct 17, 2025
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196k
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3
colabfit/OMat24_validation_rattled_1000
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Updated
Oct 17, 2025
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117k
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2
colabfit/QM9x
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Updated
Nov 18, 2025
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134k
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1
colabfit/SAIT_semiconductors_ACS_2023_HfO_raw
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Updated
Oct 16, 2025
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384k
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2
colabfit/SN2_JCTC_2019
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Updated
Nov 18, 2025
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395k
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1
colabfit/Transition1x-validation
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Updated
Nov 18, 2025
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265k
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2
colabfit/WS22_alanine
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Updated
Nov 18, 2025
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120k
colabfit/WS22_nitrophenol
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Updated
Nov 18, 2025
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120k
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7
colabfit/WS22_sma
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Updated
Nov 18, 2025
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120k
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2
colabfit/WS22_urocanic
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Updated
Nov 18, 2025
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120k
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1
colabfit/aC_JCP_2023
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Updated
Nov 18, 2025
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40.4k
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2
colabfit/q-AQUA
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Updated
Nov 18, 2025
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241k
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1
colabfit/rMD17
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Updated
Nov 18, 2025
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2M
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2
colabfit/sAlex_validation
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Updated
Oct 17, 2025
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553k
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