diff options
Diffstat (limited to '5x_cv/csv/MDD_geometrical.csv')
| -rw-r--r-- | 5x_cv/csv/MDD_geometrical.csv | 1 |
1 files changed, 1 insertions, 0 deletions
diff --git a/5x_cv/csv/MDD_geometrical.csv b/5x_cv/csv/MDD_geometrical.csv new file mode 100644 index 0000000..1f2aa63 --- /dev/null +++ b/5x_cv/csv/MDD_geometrical.csv @@ -0,0 +1 @@ +SMILES,GRAV-6,GRAVH-2,GRAVH-3,LOBMIN,MOMI-X,MOMI-YZ,MOMI-XY,MOMI-Y,GRAV-1,MOMI-XZ,MOMI-Z,GRAV-2,GRAV-3,MOMI-R,GRAV-4,GRAV-5,GRAVH-1,LOBMAX |