MolSSI AI Hub

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https://huggingface.co/molssiai-hub

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AI & ML interests

AI & ML for Computational Molecular Science

smostafanejad

updated a Space 3 months ago

PyTorch Training Loop

🐍

How to build a training loop in PyTorch

smostafanejad

updated 8 datasets 5 months ago

smostafanejad

in molssiai-hub/liquid-electrolytes 7 months ago

[bot] Conversion to Parquet

#1 opened 7 months ago by

parquet-converter

smostafanejad

updated a collection 7 months ago

Battery Research Datasets

Collection

A collection of datasets for materials science research in energy storage and Li-ion batteries. • 1 item • Updated May 22

smostafanejad

published a dataset 7 months ago

molssiai-hub/liquid-electrolytes

Viewer • Updated Jul 26 • 362k • 41

smostafanejad

in molssiai-hub/pubchem-04-18-2025 7 months ago

Super useful resource—thanks!

#1 opened 7 months ago by

DuckyPhD

smostafanejad

updated a collection 8 months ago

PubChem Structures Dataset

Collection

A collection of periodical versions of PubChem structures dataset • 4 items • Updated Apr 19

smostafanejad

published a dataset 8 months ago

molssiai-hub/pubchem-04-18-2025

Preview • Updated Jul 22 • 227

smostafanejad

updated a collection 9 months ago

PubChem Structures Dataset

Collection

A collection of periodical versions of PubChem structures dataset • 4 items • Updated Apr 19

smostafanejad

published a dataset 9 months ago

molssiai-hub/pubchem-02-21-2025

Updated Jul 22 • 122

smostafanejad

authored a paper over 1 year ago

Unification of popular artificial neural network activation functions

Paper • 2302.11007 • Published Feb 21, 2023

smostafanejad

updated a dataset over 1 year ago

molssiai-hub/pubchemqc-b3lyp

Updated Jul 22 • 557 • 4

AI & ML interests

Team members 4

molssiai-hub's activity

PyTorch Training Loop

[bot] Conversion to Parquet

Super useful resource—thanks!