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Issue 144 - remove langchain #145

Merged
merged 7 commits into from
Nov 22, 2024
Merged

Issue 144 - remove langchain #145

merged 7 commits into from
Nov 22, 2024

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geemi725
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@geemi725 geemi725 commented Dec 7, 2023 •
edited by whitead
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Uses openai without langchain, removes "P" from smiles in SOL dataset to be consistent with the base alphabet (see RF LIME example)

TODO:

  • Remove langchain from exmol
  • Update setup.py
  • Improve prompt?
  • Make sure notebooks pass tests
  • Update changelog, (version)

Addresses issue #144

@geemi725 geemi725 requested a review from whitead December 7, 2023 14:28
@whitead whitead merged commit 40f5089 into main Nov 22, 2024
2 of 4 checks passed
@whitead whitead deleted the issue-144 branch November 22, 2024 06:48
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@geemi725 @whitead