docking

Zero dependency Docking Layout Manager. Supports Vanilla TypeScript, React and Vue.

Our own development branch of the well known WPF document docking library

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

A docking layout system.

Dark themed control and docking library for .NET WinForms.

Advanced Docking System for Qt

Docking support for egui – an immediate-mode GUI library for Rust

An update to Component factory's krypton toolkit to support .NET Framework 4.6.2 - 4.8.1 to .NET 8 - 9

Open Drug Discovery Toolkit

Interaction Fingerprints for protein-ligand complexes and more

Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm

P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.

Plausibility checks for generated molecule poses.

Uni-Dock: a GPU-accelerated molecular docking program

EquiDock: geometric deep learning for fast rigid 3D protein-protein docking

Official repo of the modular BioExcel version of HADDOCK

PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.

Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.

This repository has been integrated in https://github.com/DeepRank/deeprank2

A TypeScript HTML Docking Framework (fork of dock-spawn)