Add CSML database in repo

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 pierrepo closed 1 month ago

pierrepo commented 1 month ago

One cannot run GroDecoder without the CSML database extracted from Charmm-Gui.

@KarinDuong could you please save the CSML database in data/databases/charmm-gui_csml.csv and update paths in grodecoder.py accordingly?

pierrepo commented 1 month ago

Same for MAD if needed.