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README.md
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A dataset of atomic‑scale molecular interaction interfaces, ready for ML workflows. Each row contains up to five interacting sequences (or SMILES), their modalities, an example ID, and the original data split.
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### Citation
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Data from
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@article{
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Fang2025ATOMICA,
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- Pad or truncate to exactly five sequence/modality slots.
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- Map raw molecule types to `{amino_acid, nucleotide, smiles}`.
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- Random train,test,val split stratified on interaction type.
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## Dataset Card: ATOMICA Processed Interactions
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### Summary
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A tabular Parquet dataset of atomic‑scale molecular interaction interfaces, ready for ML workflows. Each row contains up to five interacting sequences (or SMILES), their modalities, an example ID, and the original data split.
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### Citation
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A dataset of atomic‑scale molecular interaction interfaces, ready for ML workflows. Each row contains up to five interacting sequences (or SMILES), their modalities, an example ID, and the original data split.
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### Citation
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```
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@article{
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Fang2025ATOMICA,
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- Pad or truncate to exactly five sequence/modality slots.
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- Map raw molecule types to `{amino_acid, nucleotide, smiles}`.
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- Random train,test,val split stratified on interaction type.
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