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README.md
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# RiemannGen checkpoints
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Trained checkpoints for the
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- `atom/final-atom.pt` + `atom/vocab_new.txt` -- plain-SMILES model
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on a combined ZINC15 + MOSES + ChEMBL corpus.
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- `fragment/final.pt` + `fragment/vocab_new.txt` -- SAFE-fragment-encoded
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model, for scaffold growth / local fragment editing.
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Licensed under MIT -- free to use, modify, and redistribute.
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# RiemannGen checkpoints
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Trained checkpoints for the RiemannGen project: two from-scratch
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MolMIM-style latent sequence models.
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- `atom/final-atom.pt` + `atom/vocab_new.txt` -- plain-SMILES model.
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- `fragment/final.pt` + `fragment/vocab_new.txt` -- SAFE-fragment-encoded
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model, for scaffold growth / local fragment editing.
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Licensed under MIT -- free to use, modify, and redistribute.
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## Citation
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If you use these checkpoints or the RiemannGen codebase, please cite:
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```
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@misc{riemanngen2026,
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title = {RiemannGen: latent-space molecule generation with atom and fragment backends},
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author = {XeonChem},
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year = {2026},
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url = {https://huggingface.co/XeonChem/riemanngen}
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}
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```
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