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Add Instanovo#51796

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mfansler merged 24 commits intobioconda:masterbioconda/bioconda-recipes:masterfrom BioGeek:instanovoBioGeek/bioconda-recipes:instanovoCopy head branch name to clipboardNov 19, 2024

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Commits

Commits on Oct 22, 2024

• Add instanovo recipe

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  08b2877

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• Add TODO comments

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• dependencies of matchms have been updated

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Commits on Oct 29, 2024

• Remove duplicate python lines, remove uper version bound

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  04119e0

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• Add upper python bound again

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  3bcc1d4

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• Merge branch 'master' into instanovo

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  d846578

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• unpin all packages

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• re-add pinned packages, add eigen, add doi

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• remove eigen, use pytorch-gpu

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Commits on Oct 30, 2024

• Merge branch 'master' into instanovo

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Commits on Oct 31, 2024

• Merge branch 'master' into instanovo

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Commits on Nov 7, 2024

• Merge branch 'master' into instanovo

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  9c2b661

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• Update recipes/instanovo/meta.yaml

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  28477ca

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• Update recipes/instanovo/meta.yaml

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• Merge branch 'master' into instanovo

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  92e9668

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• Update meta.yaml

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  ac53d18

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• Bump version of matchms to 0.28.0

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  0fbcd01

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• Use pytorch instead of pytorch-gpu

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• Update meta.yaml

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Commits on Nov 14, 2024

• make numpy version a lower bound

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Commits on Nov 16, 2024

• Dropping all bounds

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• Explicitly add pytorch-gpu

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• Add packges which pip check complained about

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Commits on Nov 17, 2024

• remove pip check, pytorch-gpu, rdkit, lxml, and scipy from requirements in meta.yaml

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