chembl-string

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chao1224 / SGNN-EBM
Structured Multi-task Learning for Molecular Property Prediction, AISTATS'22 (https://proceedings.mlr.press/v151/liu22e.html)
knowledge-graph molecule multitask-learning energy-based-model ppi-networks string chembl chembl-string
Language:Python 13
rishi2002 / Comparing-Pretrained-Language-Models-for-Molecular-Activity-Prediction
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.
biomolecular-data chembl-string deep-learning language-model roberta-model
Language:Jupyter Notebook

chao1224 / SGNN-EBM