FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
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Updated
Dec 27, 2023 - Python
FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
SAnDReS (Statistical Analysis of Docking Results and Scoring functions) is a free and open-source computational environment for the development of machine-learning models for the prediction of ligand-binding affinity. We developed SAnDReS using Python programming language, and SciPy, NumPy, scikit-learn, and Matplotlib libraries as a computational
Performs large-scale ligand identification, curation and extraction from human structures in the Protein Data Bank.
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