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Search results for docking
docking
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65 search results found
Avalondock
⭐
1,181
Our own development branch of the well known WPF document docking library
Dock
⭐
713
A docking layout system.
Darkui
⭐
704
Dark themed control and docking library for .NET WinForms.
Diffdock
⭐
686
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Qt Advanced Docking System
⭐
680
Advanced Docking System for Qt
Qt Advanced Docking System
⭐
557
Advanced Docking System for Qt
Egui_dock
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356
Docking support for egui – an immediate-mode GUI library for Rust
Standard Toolkit
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334
An update to Component factory's krypton toolkit to support .NET Framework 4.6.2 - 4.8.1 to .NET 6 - 8
Imgui
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332
Dear ImGui Addons Branch = plain unmodified dear imgui plus some extra addon.
Prolif
⭐
286
Interaction Fingerprints for protein-ligand complexes and more
Dockview
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255
Zero dependency layout manager and builder with ReactJS support
Oddt
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241
Open Drug Discovery Toolkit
Lightdock
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234
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
Deeprank
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145
This repository has been integrated in https://github.com/DeepRank/deeprank2
Drug Computing
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131
Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
Uni Dock
⭐
129
Uni-Dock: a GPU-accelerated molecular docking program
Dock Spawn Ts
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111
A TypeScript HTML Docking Framework (fork of dock-spawn)
Posebusters
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99
Plausibility checks for generated molecule poses.
Equidock_public
⭐
81
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
Krypton Net 5.470
⭐
79
A update to Component factory's krypton toolkit to support the .NET 4.7 framework.
Haddock3
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76
Official repo of the modular BioExcel version of HADDOCK
Moderndocking
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69
Modern docking framework for Java Swing
Dd_protocol
⭐
67
Official repository for the Deep Docking protocol
Ng6 Golden Layout
⭐
60
Golden-Layout binding for Angular 6/7/8...
Avaloniadockapplication
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59
Sample Dock application.
Awesome Structural Bioinformatics
⭐
54
Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew almond milk latte and read this.
Fabind
⭐
45
FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
Amdock
⭐
44
(Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
Rxdock
⭐
43
RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]
Posecheck
⭐
40
Pose checks for 3D Structure-based Drug Design methods
Docking_flutter
⭐
40
Docking view for Flutter
Vcterm
⭐
36
Terminal with docking as Visual Code and integrating with helpfull features...
Physics Aware Multiplex Gnn
⭐
35
Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular systems"
Gnina Torch
⭐
33
🔥 PyTorch implementation of GNINA scoring function for molecular docking
Dockey
⭐
32
an integrated tool for molecular docking and virtual screening
Aakstudio.shell.ui
⭐
30
Wpf control styles and themes of AakStudio
Cando
⭐
29
Computational Analysis of Novel Drug Opportunities
Flexpose
⭐
28
FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
Krypton Toolkit Suite Net Core
⭐
28
A update to Component factory's krypton toolkit to support .NET Framework 3.5 to .NET Core
Amdock Win
⭐
25
(Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
Dockingpanes
⭐
23
A Visual Studio style docking windows library for Qt Widgets based applications
Lightdock Python2.7
⭐
20
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
Rdock
⭐
20
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.
Screenlamp
⭐
18
screenlamp is a Python toolkit for hypothesis-driven virtual screening
Aakstudio.shell.ui.themes.avalondock
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18
AakStudio.Shell.UI Themes for AvalonDock
Awesome Docking
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16
An awesome & curated list of docking papers
Sandres
⭐
14
SAnDReS (Statistical Analysis of Docking Results and Scoring functions) is a free and open-source (GNU General Public License) 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 tool to explore the scoring function space.
Dockingml
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14
A package for MD, Docking and Machine learning drug discovery pipeline
Lightdock Rust
⭐
13
A Rust implementation of the LightDock macromolecular docking software
Curcuma
⭐
12
Simple small molecular docking and conformation filtering tool.
Dockit
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11
High-throughput molecular docking with multiple targets and ligands using Vina series engines
Bm5 Clean
⭐
9
Docking benchmark 5 - cleaned and ready to use for HADDOCK
Moldrug
⭐
9
MolDrug (from Molecule to Drug) is a python package for drug-oriented optimization on the chemical space
Sailvina
⭐
9
SailVina重构增强版
Cleverstocker
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9
Clever Stocker
Poap
⭐
8
Parallelized Open Babel & Autodock suite Pipeline
Ml Ensemble Docking
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8
Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
Diffdock
⭐
7
Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"
Ts3client Dockwidget Plugin
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7
TeamSpeak 3 Client Dock Widgets Plugin
Modtox
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6
In silico platform to analize MD trajectories using metrics, clustering and machine&deep learning techniques
Gdock
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6
Protein-Protein Docking using Genetic Algorithm
Getbox Pymol Plugin
⭐
6
A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.
Jdock
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5
An extended variant of idock which was originally developed by @HongjianLi.
Mmic_docking
⭐
5
Strategy MMIC for molecular docking
Ondock
⭐
5
Perform any action when connecting and disconnecting to external displays!
1-65 of 65 search results
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