chembl-string

Here are 2 public repositories matching this topic...

chao1224 / SGNN-EBM

Structured Multi-task Learning for Molecular Property Prediction, AISTATS'22 (https://proceedings.mlr.press/v151/liu22e.html)

string molecule knowledge-graph chembl energy-based-model ppi-networks multitask-learning chembl-string

Updated Jul 6, 2022
Python

rishi2002 / Comparing-Pretrained-Language-Models-for-Molecular-Activity-Prediction

Star

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

Updated Dec 3, 2023
Jupyter Notebook

Add this topic to your repo

To associate your repository with the chembl-string topic, visit your repo's landing page and select "manage topics."

Learn more