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54

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Active filters: molecules

gbyuvd/chemselfies-base-bertmlm

Fill-Mask • 11.1M • Updated Sep 28, 2025 • 54 • 1

gbyuvd/chemembed-chemselfies

Sentence Similarity • 11.1M • Updated Nov 2, 2025 • 136 • 1

ibm-research/materials.smi-ted

Feature Extraction • Updated Jul 2, 2025 • 141 • 38

gbyuvd/drugtargetpred-chemselfies

Text Classification • 11.2M • Updated Aug 9, 2024 • 30 • 1

gbyuvd/synthaccess-chemselfies

Text Classification • 11.1M • Updated Aug 11, 2024 • 12 • 2

ChemFM/ChemFM-1B

1.0B • Updated Oct 14, 2024 • 1.39k • 2

ChemFM/ChemFM-3B

3B • Updated Oct 14, 2024 • 1.92k • 2

ibm-research/biomed.sm.mv-te-84m

84.1M • Updated Feb 24 • 273 • 19

ibm-research/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-BACE-101

84.6M • Updated Feb 24 • 108 • 3

ibm-research/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-MUV-101

84.6M • Updated Nov 1, 2024 • 17 • 2

ibm-research/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-SIDER-101

84.6M • Updated Nov 1, 2024 • 33 • 2

ibm-research/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-TOX21-101

84.6M • Updated Nov 1, 2024 • 29 • 1

ibm-research/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-LIPOPHILICITY-101

84.6M • Updated Nov 1, 2024 • 96 • 1

ibm-research/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-TOXCAST-101

84.8M • Updated Nov 1, 2024 • 15 • 1

ibm-research/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-CLINTOX-101

84.6M • Updated Nov 1, 2024 • 20 • 1

ibm-research/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-ESOL-101

84.6M • Updated Nov 1, 2024 • 41 • 1

ibm-research/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-BBBP-101

84.6M • Updated Nov 1, 2024 • 42 • 1

ibm-research/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-QM7-101

84.6M • Updated Nov 1, 2024 • 24 • 1

ibm-research/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-FREESOLV-101

84.6M • Updated Nov 1, 2024 • 30 • 1

ibm-research/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-HIV-101

84.6M • Updated Nov 1, 2024 • 27 • 1

ibm-research/materials.smi_ssed

Feature Extraction • Updated Dec 5, 2024 • 39 • 8

chaitjo/all-atom-diffusion-transformer

Updated Nov 18, 2025 • 25 • 3

ibm-research/biomed.sm.mv-te-84m-ComputationalADME-random-HLM-101

84.6M • Updated Jun 3, 2025 • 9

ibm-research/biomed.sm.mv-te-84m-ComputationalADME-random-HPPB-101

84.6M • Updated Jun 3, 2025 • 12

ibm-research/biomed.sm.mv-te-84m-ComputationalADME-random-MDR1-MDCK-ER-101

84.6M • Updated Jun 3, 2025 • 17

ibm-research/biomed.sm.mv-te-84m-ComputationalADME-random-RLM-101

84.6M • Updated Jun 3, 2025 • 6

ibm-research/biomed.sm.mv-te-84m-ComputationalADME-random-RPPB-101

84.6M • Updated Jun 3, 2025 • 8

ibm-research/biomed.sm.mv-te-84m-ComputationalADME-random-SOLUBILITY-101

84.6M • Updated Jun 3, 2025 • 13

ibm-research/materials.3dgrid_vqgan

Updated Nov 14, 2025 • 19

ibm-research/materials.mol_moe

Updated Jun 12, 2025 • 3