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update rdkit version #293

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sophiamaedler opened this issue Feb 16, 2025 · 0 comments
Open

update rdkit version #293

sophiamaedler opened this issue Feb 16, 2025 · 0 comments
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enhancement New feature or request

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@sophiamaedler
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can we upgrade the rdkit version?

The current limitation to rdkit==2024.3.3 prevents the use of numpy2.X. Since Numpy 1.x will be EOL in 8 months (https://scientific-python.org/specs/spec-0000/) and most packages are moving to supporting numpy2.X I think this would make sense.
In my packages that are dependent on alphabase, alpha base has since the update of cellpose last week become the limiting factor preventing moving to numpy2.X.
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@sophiamaedler @mschwoer