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- 16 commits
- 27 files changed
- 4 contributors
Commits on Dec 4, 2023
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Added check to keep consistency with alphabet (#143)
* Added check to keep consistency with alphabet * Fixed pre-commit maybe * Now we play find the correct langchain version
Commits on Nov 22, 2024
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Issue 144 - remove langchain (#145)
* remove langchain dependency * remove langchain from setup.py * Fixed tests * Updated CI * Updated changelog * Bumped version * Relaxed requirements --------- Co-authored-by: Andrew White <white.d.andrew@gmail.com>
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Commits on Mar 7, 2025
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* paper 1 fix -- updated imports & invalid features * clear execution history * tried again.. should work this time * updated mordred to use mordredcommunity * fixed paper2 bug with keras * fixed rdkit error * better fix for rdkit error * test url requests * test url requests part 2 * revert "test url requests part 2" This reverts commit 184424e. * revert "test url requests" This reverts commit 1a3b439.
Commits on Mar 8, 2025
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* Fixed publish * Fixed publish * Bumped version * Fixed amines
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Commits on Mar 11, 2025
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Adding kernel regex arg to fix kernel usage by all nbs (#153)
* Adding kernel regex arg to fix kernel usage by all nbs * running docs.yml with PRs but without deployment * adding '--' in the changelog to avoid warning during sphinx build
Commits on Mar 12, 2025
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Fix LLM section in Docs (#154)
* Adding kernel regex arg to fix kernel usage by all nbs * running docs.yml with PRs but without deployment * adding '--' in the changelog to avoid warning during sphinx build * adding open ai key to docs.yml
Commits on Mar 21, 2025
Commits on Apr 6, 2025
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Removing verbose loading bars in docs. -> verbose = 0 in model.predict()
Commits on May 5, 2025
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Adding py.typed file for mypy (#158)
* Adding py.typed file to allow for mypy checking * fixing typing issues in plot_utils.py and exmol.py * Update RF.ipynb kernel specs * fixing jax deprecation caught in paper3, GNN * improving docstring typed fix functions
Commits on May 8, 2025
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