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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

Papers

BERTology of Molecular Property Prediction

Unification of popular artificial neural network activation functions

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MolSSI AI's profile pictureSina Mostafanejad's profile pictureJing Chen's profile picturePaul Saxe's profile picture

molssiai-hub 's Spaces 5

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1

PyTorch Training Loop

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How to build a training loop in PyTorch

Sep 22, 2025
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Accessing the Data

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How to access the data from the Hugging Face Hub

Nov 6, 2024
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README

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AI & ML for the Computational Molecular Science Community

Oct 17, 2024
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BCCE 2024

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Machine Learning in Chemistry Workshop at the BCCE 2024

Oct 15, 2024
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Work with Metadata

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How to work with metadata

Jul 25, 2024
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