prottrans

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adenger / subpred_dl

Code for the manuscript "Application of Protein Structure Encodings and Sequence Embeddings for Transporter Substrate Prediction".

machine-learning bioinformatics deep-learning computational-biology embeddings dataset-generation feature-engineering bioinformatics-analysis structural-bioinformatics protein-structure-prediction membrane-proteins alphafold2 protein-language-models prott5 prottrans

Updated Jun 28, 2025
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BioMolDynamics / DeepPurpose-MD-Discovery

Star

End-to-end pipeline for Colab-based drug discovery integrating DeepPurpose, AutoDock Vina, and OpenMM. Supports DTI, docking, MD, and FEL analysis — no HPC cluster needed.

deep-learning openmm colab drug-discovery autodock sars-cov-2 deeppurpose prottrans

Updated Oct 3, 2025
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