Add other MLPs - #115

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fjclark wants to merge 9 commits into

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fjclark:feature-add-other-mlps

Commits on Nov 11, 2025

Update .gitignore
fjclark
committed
4edf5be
Add mace models for ligand optimisation
fjclark
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8402ea6
Fix missing tempfile import
fjclark
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f99b7d2
Remove deprecated use_ani kwarg
fjclark
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3e26865
Fix typos
fjclark
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7013945

Commits on Jan 23, 2026

Address review comments
fjclark
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300bc4e
ruff check and format
fjclark
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3b76189
Raise error if use_ani kwarg used
fjclark
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9c9d2f3
Raise error if dask clusters do not use processes with MLPs
fjclark
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bbc70af