Comments (3)
Aha, I see. Indeed, pinning dependencies could cause conflicts with other packages. On the other hand, it would make the splits reproducible, which may not be the case right now. Anyway, I respect that this decision was intentional and will close the issue. I just wanted to highlight it, because I often couldn't reproduce scientific repositories (models, not packages) due to this issue.
from splito.
This is intentional!
splito
is not meant to be used in isolation. You can imagine that if you want to install splito
in an environment that has other packages, any pinned package could quite easily lead to a dependency conflict.
For that reason, we want to limit the constraints we place on the dependencies of splito
. It is true that this complicates our lives as developers because we need to make sure we remain compatible and that we need to be weary about subtle discrepancies between versions, like you said.
I am not familiar with pip-tools
, but we might start using pixi
sometime soon which seems to have some similar features.
Does that make sense?
from splito.
I think the split should be reproducible, as long as we are careful about setting the random seed! It could be that dependencies are updated without respecting backwards compatibility, but with the mature nature of most packages we use I think this is unlikely.
from splito.
Related Issues (11)
- Documentation HOT 1
- SIMPD new implementation
- Library name HOT 9
- Add proxy functions for common splitting method such as random
- Make a general function for all splitting strategies. HOT 1
- Support train/test/validation splitting HOT 2
- visualize_chemspace is missing HOT 1
- Functional forms of splitters
- Add support for SPECTRA
- rdkit.Chem.rdFingerprintGenerator.GetMorganGenerator() did not match C++ signature HOT 2
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