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adaptyvbio / ProteinFlow

Versatile computational pipeline for processing protein structure data for deep learning applications.
https://adaptyvbio.github.io/ProteinFlow/
BSD 3-Clause "New" or "Revised" License
176 stars 8 forks source link

Cluster split refactoring #95

Closed mawskay closed 11 months ago

mawskay commented 11 months ago

Add custom PDB ids input + Add ligand support + Tanimoto clustering + Improve train/valid/test splitting