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currently, the biopolymer files are defined using target_class and target_name in config.yaml. This was initially intended to be used for training espaloma with RNA reweighting, but this should be more generalizable for other purposes. For example, create protein-ligand or protein systems using espaloma for pure simulation purposes.
The text was updated successfully, but these errors were encountered:
currently, the biopolymer files are defined using
target_class
andtarget_name
inconfig.yaml
. This was initially intended to be used for training espaloma with RNA reweighting, but this should be more generalizable for other purposes. For example, create protein-ligand or protein systems using espaloma for pure simulation purposes.The text was updated successfully, but these errors were encountered: