DrugPipe: Generative artificial intelligence-assisted virtual screening pipeline for generalizable and efficient drug repurposing
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Jun 9, 2025 - Python
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protein-binding
Here are 5 public repositories matching this topic...
cDeepbind: A context sensitive deep learning model of RNA-protein binding
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Dec 6, 2019 - Python
Predicting tissue distribution of highly lipophilic compounds
distribution pharmacokinetics disposition pbpk animal-alternative adme volume-of-distribution protein-binding unbound-fraction first-time-in-human
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Dec 15, 2017 - C#
Data analysis workflow for proteomics mass spectrometry featuring bayesian deconvolution and various downstream analyses.
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Aug 14, 2025 - R
This repository provides a comprehensive module on structural biology and drug discovery, covering protein structure, docking, and drug design. It runs on Google Cloud Platform using Jupyter notebooks and includes tools like PyMOL and AutoDock.
machine-learning random-forest structural-biology protein-data-bank protein-structure gcp molecular-dynamics computational-biology biochemistry pymol drug-discovery logistic-regression uniprot multi-layer-perceptron protein-binding molecular-visualization sars-cov-2 ligand-preparation
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Jun 9, 2025 - HTML
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