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Deep Learning with Graph Representation of Bio-Molecules to estimate physical Properties
Curated list of open resources for biomolecular data science.
I predicted the pCHEMBL values, AlogP values, Molecular Weight and nunmber of Lipinski's Rule of 5 Violations of a biomolecule by end to end training multiple pretrained Language models, on Dopamine D2 active compounds sourced from the CHeMBL database.