Commits · InstaDeepAI/MLIPAudit-data

Upload scaling.zip

bc105db

lcolonn commited on Sep 2

Upload stability.zip

ba98f63

lcolonn commited on Aug 28

Upload reactivity.zip

2018b2d

lcolonn commited on Aug 25

Upload solvent_radial_distribution.zip

34300f5

lcolonn commited on Aug 13

Upload water_radial_distribution.zip

a93fbe8

lcolonn commited on Aug 12

Upload bond_length_distribution.zip

cd1a2d3

lcolonn commited on Aug 11

Upload noncovalent_interactions.zip (#5)

8f95109

chrbrunk

leonwehrhan commited on Aug 7

Upload folding_stability.zip

ca00455

chrbrunk commited on Aug 7

Upload folding_stability.zip

b2b239e

chrbrunk commited on Aug 7

Delete folding.zip

2955df7

chrbrunk commited on Aug 7

Update small_mole_min.zip

7f3808d

lcolonn commited on Aug 5

Upload small_molecule_minimization.zip

b5039d6

lcolonn commited on Aug 5

Upload folding.zip

55df222

chrbrunk commited on Aug 4

Upload ring_planarity.zip

3ab1890

lcolonn commited on Aug 4

Upload folding.zip

c2508ca

chrbrunk commited on Aug 4

Upload tautomers.zip

5c63abf

chrbrunk commited on Aug 1

Upload tautomers.zip

e2a9fe8

chrbrunk commited on Aug 1

Upload dihedral_scan.zip

6ba3eaa

lcolonn commited on Jul 31

Delete dihedral_scan.zip

0a05a76

lcolonn commited on Jul 31

Upload conformer_selection.zip

7c467bb

lcolonn commited on Jul 31

Delete conformer_selection.zip

72d79a8

lcolonn commited on Jul 31

Upload dihedral_scan.zip

3f23a34

lcolonn commited on Jul 30

Rename small_molecule_conformer_selection.zip to conformer_selection.zip

fb1cc32

chrbrunk commited on Jul 29

Upload dihedral_scan.zip (#4)

654e224

chrbrunk

lcolonn commited on Jul 29

Create README.md (#3)

0540d87

chrbrunk

lcolonn commited on Jul 29

Upload small_molecule_conformer_selection.zip

46b59c1

chrbrunk commited on Jul 16

Upload small_molecule_conformer_selection.zip

c19fd54

chrbrunk commited on Jul 15

initial commit

6aefdf7

chrbrunk commited on Jul 15

Datasets:

InstaDeepAI
/

MLIPAudit-data

Commit History

Upload scaling.zip

bc105db

Upload stability.zip

ba98f63

Upload reactivity.zip

2018b2d

Upload solvent_radial_distribution.zip

34300f5

Upload water_radial_distribution.zip

a93fbe8

Upload bond_length_distribution.zip

cd1a2d3

Upload noncovalent_interactions.zip (#5)

8f95109

Upload folding_stability.zip

ca00455

Upload folding_stability.zip

b2b239e

Delete folding.zip

2955df7

Update small_mole_min.zip

7f3808d

Upload small_molecule_minimization.zip

b5039d6

Upload folding.zip

55df222

Upload ring_planarity.zip

3ab1890

Upload folding.zip

c2508ca

Upload tautomers.zip

5c63abf

Upload tautomers.zip

e2a9fe8

Upload dihedral_scan.zip

6ba3eaa

Delete dihedral_scan.zip

0a05a76

Upload conformer_selection.zip

7c467bb

Delete conformer_selection.zip

72d79a8

Upload dihedral_scan.zip

3f23a34

Rename small_molecule_conformer_selection.zip to conformer_selection.zip

fb1cc32

Upload dihedral_scan.zip (#4)

654e224

Create README.md (#3)

0540d87

Upload small_molecule_conformer_selection.zip

46b59c1

Upload small_molecule_conformer_selection.zip

c19fd54

initial commit

6aefdf7

Commit History

Upload scaling.zip bc105db

Upload stability.zip ba98f63

Upload reactivity.zip 2018b2d

Upload solvent_radial_distribution.zip 34300f5

Upload water_radial_distribution.zip a93fbe8

Upload bond_length_distribution.zip cd1a2d3

Upload noncovalent_interactions.zip (#5) 8f95109

Upload folding_stability.zip ca00455

Upload folding_stability.zip b2b239e

Delete folding.zip 2955df7

Update small_mole_min.zip 7f3808d

Upload small_molecule_minimization.zip b5039d6

Upload folding.zip 55df222

Upload ring_planarity.zip 3ab1890

Upload folding.zip c2508ca

Upload tautomers.zip 5c63abf

Upload tautomers.zip e2a9fe8

Upload dihedral_scan.zip 6ba3eaa

Delete dihedral_scan.zip 0a05a76

Upload conformer_selection.zip 7c467bb

Delete conformer_selection.zip 72d79a8

Upload dihedral_scan.zip 3f23a34

Rename small_molecule_conformer_selection.zip to conformer_selection.zip fb1cc32

Upload dihedral_scan.zip (#4) 654e224

Create README.md (#3) 0540d87

Upload small_molecule_conformer_selection.zip 46b59c1

Upload small_molecule_conformer_selection.zip c19fd54

initial commit 6aefdf7

Upload scaling.zip

bc105db

Upload stability.zip

ba98f63

Upload reactivity.zip

2018b2d

Upload solvent_radial_distribution.zip

34300f5

Upload water_radial_distribution.zip

a93fbe8

Upload bond_length_distribution.zip

cd1a2d3

Upload noncovalent_interactions.zip (#5)

8f95109

Upload folding_stability.zip

ca00455

Upload folding_stability.zip

b2b239e

Delete folding.zip

2955df7

Update small_mole_min.zip

7f3808d

Upload small_molecule_minimization.zip

b5039d6

Upload folding.zip

55df222

Upload ring_planarity.zip

3ab1890

Upload folding.zip

c2508ca

Upload tautomers.zip

5c63abf

Upload tautomers.zip

e2a9fe8

Upload dihedral_scan.zip

6ba3eaa

Delete dihedral_scan.zip

0a05a76

Upload conformer_selection.zip

7c467bb

Delete conformer_selection.zip

72d79a8

Upload dihedral_scan.zip

3f23a34

Rename small_molecule_conformer_selection.zip to conformer_selection.zip

fb1cc32

Upload dihedral_scan.zip (#4)

654e224

Create README.md (#3)

0540d87

Upload small_molecule_conformer_selection.zip

46b59c1

Upload small_molecule_conformer_selection.zip

c19fd54

initial commit

6aefdf7