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Since many different atom types can be introduced in the generation, the outcome can be just a collection of single atoms. Therefore, it would be helpful to restrict the generator to a fixed number of unique atom types so that more atoms have the same atom type.
This could easily be implemented to the .toml file. E.g:
max_num_atoms = 20 unique_atom_types = 4
This could lead to the molecule: C5H10I2Cl3
The text was updated successfully, but these errors were encountered:
Since many different atom types can be introduced in the generation, the outcome can be just a collection of single atoms. Therefore, it would be helpful to restrict the generator to a fixed number of unique atom types so that more atoms have the same atom type.
This could easily be implemented to the
.toml
file. E.g:max_num_atoms = 20
unique_atom_types = 4
This could lead to the molecule: C5H10I2Cl3
The text was updated successfully, but these errors were encountered: