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+ ---
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+ license: mit
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+ tags:
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+ - molecule-generation
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+ - chemistry
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+ - smiles
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+ - drug-discovery
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+ ---
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+
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+ # RiemannGen checkpoints
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+
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+ Trained checkpoints for the [RiemannGen](https://github.com/) project: two
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+ from-scratch MolMIM-style latent sequence models.
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+
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+ - `atom/final-atom.pt` + `atom/vocab_new.txt` -- plain-SMILES model, trained
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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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+
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+ Licensed under MIT -- free to use, modify, and redistribute.
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+
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+ Note: the training corpus includes data from ChEMBL, which is distributed
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+ under CC-BY-SA. Whether that imposes any share-alike obligation on model
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+ weights trained on it is an unsettled question in ML licensing generally --
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+ not resolved here, mentioned for transparency.