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.gitattributes

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initial commit 5 months ago
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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noncovalent_interactions.zip
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nudged_elastic_band.zip
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reactivity.zip
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ring_planarity.zip
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sampling.zip
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scaling.zip
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small_molecule_minimization.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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