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README.md
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---
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license: apache-2.0
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tags:
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- mass-spectrometry
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- metabolomics
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- spectrum-embedding
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---
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# UltraMS UltraAtlas
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The contrastive UltraMS checkpoint used by the Figure 5 UltraAtlas application. Use its projected embedding for Atlas spectrum similarity.
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- **Input:** fragment `m/z` and intensity arrays, plus precursor `m/z`.
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- **Output:** a projected spectrum embedding (`embedding.embedding`); the `ultrams` package also exposes CLS, peak-weighted, and fused embeddings.
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- **Load:** `pip install "ultrams[hub]"`; `UltraMS.from_hub("dsadd4/UltraMS-UltraAtlas")`.
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- **Source checkpoint:** `Light_ultra/output/appliedmodel/spectrum_search_supcon/ultra_u2_p512_v4_seed42/best.pt`.
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- **Expected source SHA256:** `447e41e99e5f6ee4155f5dd9938bd7b5fe3f09239b6d5eb0f4973b44c963e383`.
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- **License:** Apache-2.0.
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