biomolecular-data

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indropal / GraphDLBioMolecules

Deep Learning with Graph Representation of Bio-Molecules to estimate physical Properties

bioinformatics deep-learning pytorch neural-networks gnns pytorch-geometric biomolecular-structures graph-deep-learning gnn-architectures biomolecular-data

Updated Nov 21, 2022
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rishi2002 / Comparing-Pretrained-Language-Models-for-Molecular-Activity-Prediction

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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.

deep-learning language-model roberta-model biomolecular-data chembl-string