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Integrate finetuning & fingerprinting #529

Merged
merged 8 commits into from
Nov 5, 2024
Merged

Integrate finetuning & fingerprinting #529

merged 8 commits into from
Nov 5, 2024

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WenkelF
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@WenkelF WenkelF commented Nov 1, 2024 •
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Changelogs

  • Upgraded finetuning to allow finetuning on custom datasets
  • Integrated fingerprinting
  • Added example datasets for custom finetuning/fingerprinting
  • Adding documentation for finetuning/fingerprinting

Checklist:

  • Was this PR discussed in an issue? It is recommended to first discuss a new feature into a GitHub issue before opening a PR.
  • Add tests to cover the fixed bug(s) or the new introduced feature(s) (if appropriate).
  • Update the API documentation is a new function is added, or an existing one is deleted.
  • Write concise and explanatory changelogs above.
  • If possible, assign one of the following labels to the PR: feature, fix or test (or ask a maintainer to do it for you).

@WenkelF WenkelF added enhancement New feature or request feature labels Nov 1, 2024
@WenkelF WenkelF requested a review from DomInvivo as a code owner November 1, 2024 21:06
DomInvivo
DomInvivo requested changes Nov 4, 2024
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@DomInvivo DomInvivo left a comment

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Left a few comments, but great work in general :)

expts/data/finetuning_example-cls/raw.csv Outdated Show resolved Hide resolved
expts/data/finetuning_example-cls/split.csv Outdated Show resolved Hide resolved
expts/data/finetuning_example-reg/raw.csv Outdated Show resolved Hide resolved
expts/data/finetuning_example-reg/split.csv Outdated Show resolved Hide resolved
expts/hydra-configs/finetuning/custom.yaml Outdated Show resolved Hide resolved
graphium/fingerprinting/data.py Outdated Show resolved Hide resolved
graphium/fingerprinting/data.py Outdated Show resolved Hide resolved
graphium/fingerprinting/data.py Outdated Show resolved Hide resolved
graphium/fingerprinting/data.py Outdated Show resolved Hide resolved
graphium/fingerprinting/fingerprinter.py Show resolved Hide resolved
@WenkelF WenkelF merged commit 7cfa89a into graphium_3.0 Nov 5, 2024
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@DomInvivo DomInvivo DomInvivo approved these changes

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@WenkelF @DomInvivo