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README.md

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bond_length_distribution.zip
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conformer_selection.zip
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dihedral_scan.zip
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folding_stability.zip
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update-biomolecules (#15) 9 months ago
folmsbee_dataset.json

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noncovalent_interactions.zip
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nudged_elastic_band.zip
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reactivity.zip
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reference_geometry_stability.zip
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feat: rename small molecule minimization -> reference geometry stability 9 months ago
ring_planarity.zip
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sampling.zip
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update-biomolecules (#15) 9 months ago
scaling.zip
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solvent_radial_distribution.zip
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stability.zip
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tautomers.zip
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water_radial_distribution.zip
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