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@@ -15,15 +15,11 @@ should probably proofread and complete it, then remove this comment. -->
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  [<img src="https://raw.githubusercontent.com/wandb/assets/main/wandb-github-badge-28.svg" alt="Visualize in Weights & Biases" width="200" height="32"/>](https://wandb.ai/npcomposer/npcomposer/runs/lpvwn86m)
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  # NPComposer
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- NPComposer is a conditional molecular generation model trained by fine-tuning GP-MoLFormer — a 46.8M parameter transformer decoder foundation model — on the COCONUT database containing over 700,000 experimentally validated natural products.
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  https://github.com/shawnralyn/NPComposer
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  By providing class labels and molecular property information as special tokens during model fine-tuning, NPComposer allows for conditional natural product generation based on: NP biosynthesis pathway (7 pathways including Alkaloids, Terpenoids, Shikimates and Phenylpropanoids, etc.), NP superclass (70+ superclasses), presence or absence of glycoside, number of aromatic rings (0–22), QED drug-likeness (0–1), and synthetic accessibility score (1–10).
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- This model is a fine-tuned version of [ibm-research/GP-MoLFormer-Uniq](https://huggingface.co/ibm-research/GP-MoLFormer-Uniq) on the None dataset.
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- It achieves the following results on the evaluation set:
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- - Loss: 0.2718
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-
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  ## Model description
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  [More information needed](https://github.com/shawnralyn/NPComposer)
 
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  [<img src="https://raw.githubusercontent.com/wandb/assets/main/wandb-github-badge-28.svg" alt="Visualize in Weights & Biases" width="200" height="32"/>](https://wandb.ai/npcomposer/npcomposer/runs/lpvwn86m)
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  # NPComposer
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+ NPComposer is a conditional molecular generation model trained by fine-tuning GP-MoLFormer [ibm-research/GP-MoLFormer-Uniq](https://huggingface.co/ibm-research/GP-MoLFormer-Uniq) — a 46.8M parameter transformer decoder foundation model — on the COCONUT database containing over 700,000 experimentally validated natural products.
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  https://github.com/shawnralyn/NPComposer
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  By providing class labels and molecular property information as special tokens during model fine-tuning, NPComposer allows for conditional natural product generation based on: NP biosynthesis pathway (7 pathways including Alkaloids, Terpenoids, Shikimates and Phenylpropanoids, etc.), NP superclass (70+ superclasses), presence or absence of glycoside, number of aromatic rings (0–22), QED drug-likeness (0–1), and synthetic accessibility score (1–10).
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  ## Model description
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  [More information needed](https://github.com/shawnralyn/NPComposer)