Jangerit's workspace
Runs
3,939
Name
3,939 visualized
1-20
of 3,939runs.summary["train_epsilonAB_table"]
- 6 of 63136
COC(F)(F)C(F)C(F)(F)F
train
4.775
3.768
1.006
3.191
3.781
0.5896
179.465
228.703
CCOCOCC
train
3.629
3.795
0.1662
3.539
3.755
0.2159
229.555
260.338
C/C=C(/C)CC
train
3.045
3.297
0.2522
3.702
3.704
0.002729
240.582
252.015
CCCOCOCCC
train
2.686
4.208
1.522
4.32
3.853
0.4671
302.982
261.602
CCCOC(=O)CCC
train
4.341
4.541
0.1994
3.573
3.648
0.075
240.057
261.048
OC(C(F)(F)F)C(F)(F)F
train
1
3.773
2.773
4.994
3.653
1.341
134.821
219.371
molecule
smiles
split
m
m_pred
m_error
sigma
sigma_pred
sigma_error
epsilon_k
epsilon_k_pred
epsilon_k_error
epsilonAB
epsilonAB_pred
epsilonAB_error
KAB
KAB_pred
KAB_error
1
2
3
4
5
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