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MLIPAudit-data

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MLIPAudit-data

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Upload bond length, ring planarity and small molecule minimization
f65c90f

leonwehrhan commited on

Upload tautomers.zip
2a3faed

lcolonn commited on

Upload tautomers.zip
e33e8dd

lcolonn commited on

Upload noncovalent_interactions.zip
cce3402

lcolonn commited on

Upload scaling.zip
bc105db

lcolonn commited on

Upload stability.zip
ba98f63

lcolonn commited on

Upload reactivity.zip
2018b2d

lcolonn commited on

Upload solvent_radial_distribution.zip
34300f5

lcolonn commited on

Upload water_radial_distribution.zip
a93fbe8

lcolonn commited on

Upload bond_length_distribution.zip
cd1a2d3

lcolonn commited on

Upload folding_stability.zip
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chrbrunk commited on

Upload folding_stability.zip
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Delete folding.zip
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chrbrunk commited on

Update small_mole_min.zip
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lcolonn commited on

Upload small_molecule_minimization.zip
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lcolonn commited on

Upload folding.zip
55df222

chrbrunk commited on

Upload ring_planarity.zip
3ab1890

lcolonn commited on

Upload folding.zip
c2508ca

chrbrunk commited on

Upload tautomers.zip
5c63abf

chrbrunk commited on

Upload tautomers.zip
e2a9fe8

chrbrunk commited on

Upload dihedral_scan.zip
6ba3eaa

lcolonn commited on

Delete dihedral_scan.zip
0a05a76

lcolonn commited on

Upload conformer_selection.zip
7c467bb

lcolonn commited on

Delete conformer_selection.zip
72d79a8

lcolonn commited on

Upload dihedral_scan.zip
3f23a34

lcolonn commited on

Rename small_molecule_conformer_selection.zip to conformer_selection.zip
fb1cc32

chrbrunk commited on

Upload small_molecule_conformer_selection.zip
46b59c1

chrbrunk commited on

Upload small_molecule_conformer_selection.zip
c19fd54

chrbrunk commited on

initial commit
6aefdf7

chrbrunk commited on