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@nkkchem mentions that there are certain rules that molecules must satisfy in order to be valid.
For example, "presence of an epoxy" group is an example. We need to make sure that we can either restrict the agent from violating "hard" rules or impose "soft" constraints by adding in penalties to the reward function.
The text was updated successfully, but these errors were encountered:
@nkkchem mentions that there are certain rules that molecules must satisfy in order to be valid.
For example, "presence of an epoxy" group is an example. We need to make sure that we can either restrict the agent from violating "hard" rules or impose "soft" constraints by adding in penalties to the reward function.
The text was updated successfully, but these errors were encountered: