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Active filters: virtual-screening

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

84.1M • Updated Feb 24 • 252 • 19

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

84.6M • Updated Feb 24 • 109 • 3

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

84.6M • Updated Nov 1, 2024 • 19 • 2

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

84.6M • Updated Nov 1, 2024 • 36 • 2

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

84.6M • Updated Nov 1, 2024 • 32 • 1

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

84.6M • Updated Nov 1, 2024 • 94 • 1

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

84.8M • Updated Nov 1, 2024 • 16 • 1

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

84.6M • Updated Nov 1, 2024 • 24 • 1

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

84.6M • Updated Nov 1, 2024 • 38 • 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 • 28 • 1

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

84.6M • Updated Nov 1, 2024 • 34 • 1

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

84.6M • Updated Nov 1, 2024 • 30 • 1

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 • 18

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

84.6M • Updated Jun 3, 2025 • 7

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/biomed.sm.mv-te-84m-CYP-ligand_scaffold_balanced-CYP1A2-101

84.6M • Updated Jun 17, 2025 • 10

ibm-research/biomed.sm.mv-te-84m-CYP-ligand_scaffold_balanced-CYP2C19-101

84.6M • Updated Jun 17, 2025 • 8

ibm-research/biomed.sm.mv-te-84m-CYP-ligand_scaffold_balanced-CYP2C9-101

84.6M • Updated Jun 17, 2025 • 7

ibm-research/biomed.sm.mv-te-84m-CYP-ligand_scaffold_balanced-CYP2D6-101

84.6M • Updated Jun 17, 2025 • 8

ibm-research/biomed.sm.mv-te-84m-CYP-ligand_scaffold_balanced-CYP3A4-101

84.6M • Updated Jun 17, 2025 • 12

Cyanex/BioGPT-X

Text Generation • Updated Jun 7

syedkumailhussain/pepTrans

OneScience-Group/SurfDock

Updated 21 days ago • 25

Aurigene-AI/MoLFormer-XL-both-10pct

Feature Extraction • 46.8M • Updated 18 days ago • 33

Aurigene-AI/biomed.sm.mv-te-84m

84.1M • Updated 18 days ago • 24

SidraBhatti/casp4-inhibitor-screening

Updated 15 days ago