Computational Science Laboratory

compsciencelab's activity

• All
• Models
• Datasets
• Spaces
• Papers
• Collections
• Community
• Posts
• Articles

juanlrdc 

updated a dataset 15 days ago

compsciencelab/full_tdc_datasets

Viewer • Updated 15 days ago • 5.67M • 48

juanlrdc 

updated a dataset 20 days ago

compsciencelab/tdc_benchmark

Viewer • Updated 20 days ago • 6.08k • 50

juanlrdc 

published a dataset 20 days ago

compsciencelab/tdc_benchmark

Viewer • Updated 20 days ago • 6.08k • 50

juanlrdc 

published a dataset 27 days ago

compsciencelab/full_tdc_datasets

Viewer • Updated 15 days ago • 5.67M • 48

juanlrdc 

updated a dataset 27 days ago

compsciencelab/tdc_txgemma_dataset

Viewer • Updated 27 days ago • 111k • 108 • 1

giadefa 

submitted a paper to Daily Papers 2 months ago

AceFF: A State-of-the-Art Machine Learning Potential for Small Molecules

Paper • 2601.00581 • Published Jan 2 • 2

juanlrdc 

updated a dataset 6 months ago

compsciencelab/ames_mutagenecity_mordred

Viewer • Updated Sep 19, 2025 • 1.2k • 5

juanlrdc 

published a dataset 6 months ago

compsciencelab/ames_mutagenecity_mordred

Viewer • Updated Sep 19, 2025 • 1.2k • 5

juanlrdc 

published a dataset 9 months ago

compsciencelab/tdc_txgemma_dataset

Viewer • Updated 27 days ago • 111k • 108 • 1

AntonioMirarchi 

updated a dataset over 1 year ago

compsciencelab/mdCATH

Updated Nov 30, 2024 • 3.67k • 7

giadefa 

updated a dataset over 1 year ago

compsciencelab/mdCATH

Updated Nov 30, 2024 • 3.67k • 7

Sebasdi 

updated a dataset over 1 year ago

compsciencelab/BricksRL-Datasets

Preview • Updated Sep 30, 2024 • 382