Deva Lab
Research lab | ML4Molecular Science | Computational Chemistry I AI4Healthcare
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Showing 10 of 37 repositories
- PL-Affinity-PLAS-20k Public
Synthetic Data for More Accurate Deep Learning Models in Molecular Science: A Test Case of Protein-Ligand Binding Affinity Prediction
- MolGPT2.0 Public
- matgpt Public
- MambaDDI Public
- GraphDDI Public
Graph neural network for drug-drug interaction prediction from SMILES (AIiH 2024, LNCS 14812)
- H3ACE-workshop-2026 Public
- ML_GUT Public
Hybrid and baseline machine learning models for prediction of diseases from gut-microbiota.
- PLAS-HES-5k Public
A dataset for the decoys of protein-ligand binding, useful for training machine learning models.
- BenchIDPs Public
Codes related to simulation and analyses of intrinsically disordered proteins with different combinations of force field and water models.
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