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--- |
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dataset_info: |
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config_name: main |
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license: mit |
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tags: |
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- chemistry |
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pretty_name: MassSpecGym |
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size_categories: |
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- 100K<n<1M |
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configs: |
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- config_name: main |
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data_files: |
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- split: val |
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path: data/MassSpecGym.tsv |
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--- |
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<p align="center"> |
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<img src="assets/MassSpecGym_abstract.svg" width="80%"/> |
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</p> |
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MassSpecGym provides a dataset and benchmark for the discovery and identification of new molecules from MS/MS spectra. The provided challenges abstract the process of scientific discovery of new molecules from biological and environmental samples into well-defined machine learning problems. |
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Please refer to the [MassSpecGym GitHub page](https://github.com/pluskal-lab/MassSpecGym) and the [paper](https://arxiv.org/abs/2410.23326) for details. |
