A collection of PubChemQC datasets
MolSSI AI Hub
community
AI & ML interests
AI & ML for Computational Molecular Science
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spaces
4
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Accessing the Data
How to access the data from the Hugging Face Hub
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PyTorch Training Loop
How to build a training loop in PyTorch
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BCCE 2024
Machine Learning in Chemistry Workshop at the BCCE 2024
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Work with Metadata
How to work with metadata
models
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