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MS2Deepscore 2.0.0

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@niekdejonge niekdejonge released this 21 Mar 08:30
· 152 commits to main since this release
c6050db

MS2Deepscore 2.0 can train cross-ionmode models and was converted from tensorflow to pytorch. Which makes MS2Deepscore 2.0 incompatible with old models.

Full Changelog: 1.0.0...2.0.0