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Diffusion Gym
/
Molecules
/
HOMOLUMOGapReward
HOMOLUMOGapReward
class
HOMOLUMOGapReward
(
do_relax
:
bool
=
True
)
[source]
Bases:
XTBReward
invalid_val
=
0.0
LUMOReward
PolarizabilityReward