Bug Fix: Assert only fixed_atom_mask and fixed_edge_mask can be None in to_xace_mol#61
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juhimgupta wants to merge 4 commits intodev_gnnfrom
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Bug Fix: Assert only fixed_atom_mask and fixed_edge_mask can be None in to_xace_mol#61juhimgupta wants to merge 4 commits intodev_gnnfrom
juhimgupta wants to merge 4 commits intodev_gnnfrom
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File changed: omtra/data/plinder/init.py
to_xace_molwith explicit assertionxace_dict[k]is None, asserts thatk in ['fixed_atom_mask', 'fixed_edge_mask'].long()conversion for None values