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Commit History

feat: rename small molecule minimization -> reference geometry stability

eca29f7

lcolonn commited on 16 days ago

update-biomolecules (#15)

2278a1d
verified

lcolonn commited on 18 days ago

Upload sampling.zip

7e7bb2b
verified

lcolonn commited on 30 days ago

Upload nudged_elastic_band.zip (#12)

c0dc8c9

leonwehrhan commited on Oct 10

Upload bond_length_distribution.zip (#14)

6e9d3fb

leonwehrhan commited on Oct 10

Upload folding_stability.zip (#10)

a2bc8dd

leonwehrhan commited on Oct 6

Upload stability.zip (#11)

32716fe

leonwehrhan commited on Oct 6

Upload bond length, ring planarity and small molecule minimization (#13)

bec98bb

leonwehrhan commited on Oct 6

Upload tautomers.zip

2a3faed

lcolonn commited on Sep 15

Upload tautomers.zip

e33e8dd

lcolonn commited on Sep 15

Upload sampling.zip (#6)

f38ba72

leonwehrhan commited on Sep 15

Upload noncovalent_interactions.zip

cce3402

lcolonn commited on Sep 12

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

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

lcolonn commited on Jul 29

Create README.md (#3)

0540d87

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