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DEPRECATION WARNING: please use MorganGenerator #98

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isty2e opened this issue Jun 19, 2024 · 2 comments
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DEPRECATION WARNING: please use MorganGenerator #98

isty2e opened this issue Jun 19, 2024 · 2 comments
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enhancement New feature or request

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@isty2e
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isty2e commented Jun 19, 2024

Motivation

DeprecationWarning appears generating fingerprints (e.g., ECFP) with FPVecTransformer when a recent version of RDKit is installed. Like in datamol, the code can be reworked to use rdFingerprintGenerator.

Pitch

The DeprecationWarning is the main issue for me, and in fact the implementation does not matter as long as it can be suppressed.

Additional context

Related issue: datamol-io/datamol#225
@isty2e isty2e added the enhancement New feature or request label Jun 19, 2024
@maclandrol
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Hi @isty2e would you be able to make a PR here to fix the issue ?

@isty2e isty2e mentioned this issue Jun 20, 2024
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@isty2e
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isty2e commented Jun 20, 2024

@maclandrol Made the PR.

@isty2e isty2e closed this as completed Aug 14, 2024
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@isty2e @maclandrol