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MassSpecGym provides three challenges for benchmarking the discovery and identification of new molecules from MS/MS spectra. The provided challenges abstract the process of scientific discovery 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) for details.
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📣 The paper will be available soon!
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MassSpecGym provides three challenges for benchmarking the discovery and identification of new molecules from MS/MS spectra. The provided challenges abstract the process of scientific discovery 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.
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