xpainn.zip
QM9
Cv
Cv.pt
10.4 MB
config.json
1.2 kB
G
G_direct.pt
10.5 MB
config.json
1.2 kB
H
H_direct.pt
3.6 MB
config.json
1.3 kB
HOMO
HOMO.pt
10.5 MB
config.json
1.3 kB
LUMO
LUMO.pt
10.5 MB
config.json
1.3 kB
U
U_direct.pt
10.5 MB
config.json
1.2 kB
U0
U0_direct.pt
10.5 MB
config.json
1.2 kB
dG
G_delta.pt
10.5 MB
config.json
1.2 kB
dH
H_delta.pt
10.5 MB
config.json
1.2 kB
dU
U_delta.pt
3.6 MB
config.json
1.3 kB
dU0
U0_delta.pt
10.5 MB
config.json
1.3 kB
dm
config.json
1.2 kB
dm_scalar.pt
10.5 MB
gap
config.json
1.3 kB
gap.pt
10.5 MB
pol
config.json
1.2 kB
pol_scalar.pt
10.6 MB
qm9_dataset
processed
raw
qm9_seed41.hdf5
4.2 GB
r^2
config.json
1.1 kB
r^2.pt
10.5 MB
zpve
config.json
1.2 kB
zpve.pt
10.5 MB
ROT34
ROT34.xyz
10.7 kB
rot34_wb97m-d3bj_def2-tzvppd.xyz
19.8 kB
rot34_xpainn.xyz
10.3 kB
rot34_xpainn@xtb.xyz
10.3 kB