Build the structure of the project into a package

pierrepo / grodecoder

GroDecoder extracts and identifies the molecular components of a structure file (PDB or GRO) issued from a molecular dynamics simulation.

https://grodecoder.streamlit.app/

BSD 3-Clause "New" or "Revised" License

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Closed KarinDuong closed 3 months ago

KarinDuong commented 3 months ago

close #71

KarinDuong commented 3 months ago

We close this PR, because there is a conflict with the commit. The new one is #86