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“DroidNet” is a robust suite of sub-projects for WinUI app development, focusing on automation and quality assurance. Its modular architecture makes it a powerful tool for developers working with WinUI and Windows App SDK.
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
rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) campaigns and Binding Mode prediction studies.
Tool for directed evolution of protein receptors specifically for a ligand of interest ; implementation and fine-tuning of @zaixizhang 's PocketGen focused on maximizing binding affinity.
Scipion framework plugin for the use of tools provided in the Rosetta software suite. Currently it has protocols for the use of the Rosetta DARC docking software