MolSSI AI Hub

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https://huggingface.co/molssiai-hub

molssi-ai

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AI & ML interests

AI & ML for Computational Molecular Science

molssiai-hub 's datasets 9

molssiai-hub/liquid-electrolytes

Viewer • Updated Jul 26 • 362k • 25

molssiai-hub/pubchem-10-15-2024-selfies

Updated Jul 22 • 311

molssiai-hub/pubchem-10-15-2024

Updated Jul 22 • 353

molssiai-hub/pubchem-07-23-2024

Updated Jul 22 • 336 • 1

molssiai-hub/pubchem-02-21-2025

Updated Jul 22 • 302

molssiai-hub/pubchemqc-pm6

Updated Jul 22 • 1.35k • 1

molssiai-hub/pubchemqc-b3lyp

Updated Jul 22 • 1.04k • 4

molssiai-hub/pubchem-04-18-2025

Preview • Updated Jul 22 • 607

molssiai-hub/pm7

Viewer • Updated Nov 26, 2024 • 4.62k • 75