| --- |
| license: "apache-2.0" |
| tags: ["galaxy", "galaxy-data-manager", "metabolomics", "metabolite", "metabolite-annotation", "metabolite-identification", "mass-spectrometry", "tandem-mass-spectrometry", "chemistry", "cheminformatics"] |
| --- |
| |
| # MSBuddy |
|
|
| Reference databases and a LightGBM model for MSBuddy. |
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| Current release: [db0.2.4-ml0.3.0](https://huggingface.co/computational-metabolomics/msbuddy/tree/models-db0.2.4-ml0.3.0-r1). |
|
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| Attribution: [Xing et al. (2023)](https://www.nature.com/articles/s41592-023-01850-x). |
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| These files are primarily provided for the [MSBuddy Galaxy tool](https://github.com/computational-metabolomics/galaxy-tools) and its `data_manager_msbuddy_data` data manager. They can also be imported into a history using [Galaxy's Upload tool](https://galaxyproject.org/news/2026-01-07-hf-integration/) where Hugging Face integration is available. |
|
|
| ## Sources and documentation |
|
|
| | Version | GitHub and documentation | Original source | |
| | --- | --- | --- | |
| | db0.2.4-ml0.3.0 | [GitHub and documentation](https://github.com/Philipbear/msbuddy) | [Original source](https://github.com/Philipbear/msbuddy/releases) | |
|
|
| ## Licensing |
|
|
| | Version | Model/data license | Software license | Notes | |
| | --- | --- | --- | --- | |
| | db0.2.4-ml0.3.0 | [Apache-2.0](https://github.com/Philipbear/msbuddy/blob/1fe2e64d00a8db095b88a7559c75b5e2fa55c4e0/LICENSE) | [Apache-2.0](https://github.com/Philipbear/msbuddy/blob/1fe2e64d00a8db095b88a7559c75b5e2fa55c4e0/LICENSE) | The listed licence is based on the upstream project licence; separate model/data terms are not stated. | |
|
|
| ## Versions and files |
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|
| Files are mirrored unchanged from upstream. |
|
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| | Version | Recorded software compatibility | File | SHA-256 | |
| | --- | --- | --- | --- | |
| | [db0.2.4-ml0.3.0](https://huggingface.co/computational-metabolomics/msbuddy/tree/models-db0.2.4-ml0.3.0-r1) (current) | `msbuddy >=0.3.16,<0.4.0` | [db0.2.4-ml0.3.0/LICENSE](https://huggingface.co/computational-metabolomics/msbuddy/blob/models-db0.2.4-ml0.3.0-r1/db0.2.4-ml0.3.0/LICENSE) | `c71d239df91726fc519c6eb72d318ec65820627232b2f796219e87dcf35d0ab4` | |
| | [db0.2.4-ml0.3.0](https://huggingface.co/computational-metabolomics/msbuddy/tree/models-db0.2.4-ml0.3.0-r1) (current) | `msbuddy >=0.3.16,<0.4.0` | [db0.2.4-ml0.3.0/common_db_v0.2.4.joblib](https://huggingface.co/computational-metabolomics/msbuddy/blob/models-db0.2.4-ml0.3.0-r1/db0.2.4-ml0.3.0/common_db_v0.2.4.joblib) | `cd3509150091a911ef8da85874bf71015fe7d0969b32dd97ccabefd9193dd8ec` | |
| | [db0.2.4-ml0.3.0](https://huggingface.co/computational-metabolomics/msbuddy/tree/models-db0.2.4-ml0.3.0-r1) (current) | `msbuddy >=0.3.16,<0.4.0` | [db0.2.4-ml0.3.0/formula_db_v0.2.4.joblib](https://huggingface.co/computational-metabolomics/msbuddy/blob/models-db0.2.4-ml0.3.0-r1/db0.2.4-ml0.3.0/formula_db_v0.2.4.joblib) | `9bac35f339f3d4c98eea558ffa95af37ba432d4d599148a98b27f8888d135997` | |
| | [db0.2.4-ml0.3.0](https://huggingface.co/computational-metabolomics/msbuddy/tree/models-db0.2.4-ml0.3.0-r1) (current) | `msbuddy >=0.3.16,<0.4.0` | [db0.2.4-ml0.3.0/ml_v0.3.0.joblib](https://huggingface.co/computational-metabolomics/msbuddy/blob/models-db0.2.4-ml0.3.0-r1/db0.2.4-ml0.3.0/ml_v0.3.0.joblib) | `d24aa86b2ec0eea956993c8f9559c3e52e1d9ad31589513668a30268bfe4bee8` | |
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