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feat: add saturated fatty acids mol2 file
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vsheg committed Sep 26, 2024
1 parent 269f222 commit 65f9e0c
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4 changes: 4 additions & 0 deletions moll/data/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -12,3 +12,7 @@
d_aldopentoses_sdf: Path = (_parent / "d_aldopentoses.sdf").relative_to(
_cwd, walk_up=True
)

saturated_fatty_acids_mol2 = (_parent / "saturated_fatty_acids.mol2").relative_to(
_cwd, walk_up=True
)
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