GitHub topics: proteochemometrics
cthoyt/chembl-downloader
Write reproducible code for getting and processing ChEMBL
Language: Jupyter Notebook - Size: 1.02 MB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 78 - Forks: 14
cthoyt/cthoyt.github.io
My personal website, served at https://cthoyt.com
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PaccMann/paccmann_predictor
PyTorch implementation of bimodal neural networks for drug-cell (pharmarcogenomics) and drug-protein (proteochemometrics) interaction prediction
Language: Python - Size: 202 KB - Last synced at: 29 days ago - Pushed at: about 1 year ago - Stars: 51 - Forks: 18
CDDLeiden/PCMol
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
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PaccMann/paccmann_kinase_binding_residues
Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pubs.acs.org/doi/10.1021/acs.jcim.1c00889
Language: Python - Size: 7.5 MB - Last synced at: 4 months ago - Pushed at: almost 3 years ago - Stars: 36 - Forks: 6
ml-jku/hyper-dti
HyperPCM: Robust task-conditioned modeling of drug-target interactions
Language: Python - Size: 75.8 MB - Last synced at: 3 months ago - Pushed at: 10 months ago - Stars: 36 - Forks: 5
PaccMann/paccmann_sarscov2
Code for paper on automation of discovery and synthesis of targeted molecules: https://iopscience.iop.org/article/10.1088/2632-2153/abe808
Size: 1.04 MB - Last synced at: about 1 month ago - Pushed at: almost 4 years ago - Stars: 19 - Forks: 6