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gruenewald-lab / CGsmiles

Coarse-Grained Smiles (CGsmiles) for representing abitrarily complex molecules using a compact line notation
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Hydrogen reconstruction for partial fragments #15

Open fgrunewald opened 3 months ago

fgrunewald commented 3 months ago

At the moment we cannot correctly reconstruct hydrogen atoms for partial fragments. This problem arose with changes in #12, but should be easy enough to fix.