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lcolonn's picture

feat: rename small molecule minimization -> reference geometry stability

eca29f7 15 days ago

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2.46 kB

initial commit 5 months ago
README.md

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Create README.md (#3) 4 months ago
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) 18 days ago
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 15 days ago
ring_planarity.zip
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Upload bond length, ring planarity and small molecule minimization (#13) 2 months ago
sampling.zip
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update-biomolecules (#15) 18 days 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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