Deva Lab
Research lab | ML4Molecular Science | Computational Chemistry I AI4Healthcare
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- 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
devalab/PL-Affinity-PLAS-20k’s past year of commit activity - BenchIDPs Public
Codes related to simulation and analyses of intrinsically disordered proteins with different combinations of force field and water models.
devalab/BenchIDPs’s past year of commit activity - PLAS-HES-5k Public
A dataset for the decoys of protein-ligand binding, useful for training machine learning models.
devalab/PLAS-HES-5k’s past year of commit activity - MolGPT2.0 Public
devalab/MolGPT2.0’s past year of commit activity - SynFormer Public
An encoder-decoder transformer model that models retrosynthetic analysis along with novel metrics for evaluation.
devalab/SynFormer’s past year of commit activity - BiRDS Public
devalab/BiRDS’s past year of commit activity - Spectra2Structure Public
devalab/Spectra2Structure’s past year of commit activity
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