GitHub topics: docking
pritampanda15/PandaDock
PandaDock: A Physics-Based Molecular Docking using Python
Language: Python - Size: 7.69 MB - Last synced at: about 2 hours ago - Pushed at: 2 days ago - Stars: 60 - Forks: 11
andrewauclair/ModernDocking
Modern docking framework for Java Swing
Language: Java - Size: 7 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 123 - Forks: 23
githubuser0xFFFF/Qt-Advanced-Docking-System Fork of mfreiholz/Qt-Advanced-Docking-System
Advanced Docking System for Qt
Language: C++ - Size: 26.9 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 2,105 - Forks: 620
Dirkster99/AvalonDock
Our own development branch of the well known WPF document docking library
Language: C# - Size: 3.08 MB - Last synced at: 1 day ago - Pushed at: 11 months ago - Stars: 1,514 - Forks: 329
MengwuXiao/GetBox-PyMOL-Plugin
A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.
Language: Python - Size: 2.73 MB - Last synced at: about 22 hours ago - Pushed at: almost 6 years ago - Stars: 93 - Forks: 22
conradhuebler/curcuma
Simple small molecular docking and conformation filtering tool.
Language: C++ - Size: 2.5 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 12 - Forks: 3
RMeli/spyrmsd
📐 Symmetry-corrected RMSD in Python
Language: Python - Size: 776 KB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 98 - Forks: 9
GaIIery/imgui98-sample
demo project for imgui98, running on win32/dx9
Language: C++ - Size: 11.7 KB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 0 - Forks: 0
wieslawsoltes/Dock
A docking layout system.
Language: C# - Size: 303 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 1,108 - Forks: 112
haddocking/haddock3
Official repo of the modular BioExcel version of HADDOCK
Language: Python - Size: 556 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 139 - Forks: 44
Adanos020/egui_dock
Docking support for egui – an immediate-mode GUI library for Rust
Language: Rust - Size: 3.24 MB - Last synced at: 1 day ago - Pushed at: 1 day ago - Stars: 507 - Forks: 86
abdes/DroidNet
“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.
Language: C# - Size: 5.23 MB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 9 - Forks: 0
Krypton-Suite/Standard-Toolkit
An update to Component factory's krypton toolkit to support .NET Framework 4.6.2 - 4.8.1 to .NET 8 - 9
Language: C# - Size: 43.6 MB - Last synced at: 2 days ago - Pushed at: 7 days ago - Stars: 482 - Forks: 68
mathuo/dockview
Zero dependency Docking Layout Manager. Supports Vanilla TypeScript, React and Vue.
Language: TypeScript - Size: 176 MB - Last synced at: 6 days ago - Pushed at: 10 days ago - Stars: 2,561 - Forks: 100
amjjbonvin/haddocking.github.io Fork of haddocking/haddocking.github.io
Webpage of the HADDOCK group
Language: HTML - Size: 878 MB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 0 - Forks: 0
gcorso/DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Language: Python - Size: 211 MB - Last synced at: 9 days ago - Pushed at: 9 days ago - Stars: 1,232 - Forks: 294
maabuu/posebusters
Plausibility checks for generated molecule poses.
Language: Python - Size: 3.82 MB - Last synced at: 11 days ago - Pushed at: 11 days ago - Stars: 277 - Forks: 15
DevExpress-Examples/winforms-docking-hide-dock-panel-caption
This example demonstrates how to completely hide the dock panel caption.
Language: Visual Basic .NET - Size: 83 KB - Last synced at: 12 days ago - Pushed at: 12 days ago - Stars: 0 - Forks: 0
DevExpress-Examples/winforms-docking-display-custom-header-buttons
Display custom header buttons in a dock panel.
Language: C# - Size: 66.4 KB - Last synced at: 12 days ago - Pushed at: 12 days ago - Stars: 1 - Forks: 2
rasbt/screenlamp
screenlamp is a Python toolkit for hypothesis-driven virtual screening
Language: Python - Size: 6.08 MB - Last synced at: 6 days ago - Pushed at: about 7 years ago - Stars: 25 - Forks: 11
Col-E/BentoFX
A docking system for JavaFX
Language: Java - Size: 0 Bytes - Last synced at: 16 days ago - Pushed at: 16 days ago - Stars: 0 - Forks: 0
oddt/oddt
Open Drug Discovery Toolkit
Language: Python - Size: 45.8 MB - Last synced at: 4 days ago - Pushed at: over 2 years ago - Stars: 438 - Forks: 122
chemosim-lab/ProLIF
Interaction Fingerprints for protein-ligand complexes and more
Language: Python - Size: 11.2 MB - Last synced at: 12 days ago - Pushed at: 12 days ago - Stars: 405 - Forks: 80
RobinPerris/DarkUI
Dark themed control and docking library for .NET WinForms.
Language: C# - Size: 1.01 MB - Last synced at: 12 days ago - Pushed at: about 2 years ago - Stars: 855 - Forks: 190
node-projects/dock-spawn-ts
A TypeScript HTML Docking Framework (fork of dock-spawn)
Language: JavaScript - Size: 3.76 MB - Last synced at: 18 days ago - Pushed at: 18 days ago - Stars: 132 - Forks: 31
KyGao/awesome-docking
An awesome & curated list of docking papers
Size: 2.01 MB - Last synced at: 8 days ago - Pushed at: 2 months ago - Stars: 110 - Forks: 9
lmdu/dockey
an integrated tool for molecular docking and virtual screening
Language: Python - Size: 23.9 MB - Last synced at: 4 days ago - Pushed at: 8 months ago - Stars: 62 - Forks: 12
lightdock/lightdock
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
Language: Python - Size: 93.3 MB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 332 - Forks: 46
scipion-chem/scipion-chem-schrodinger
Scipion framework plugin for the use of tools provided by Schrodinger software suite
Language: Python - Size: 496 KB - Last synced at: 19 days ago - Pushed at: 19 days ago - Stars: 0 - Forks: 2
nicholas-karr/MonitorRotationMemory
Applies monitor rotations to fix sideways laptop docking.
Language: C++ - Size: 41 KB - Last synced at: 5 days ago - Pushed at: 20 days ago - Stars: 2 - Forks: 0
quantaosun/labodock_binder
Open-sourced docking for small molecule to protein target. It prioritizes enhanced user-friendliness and accessibility.
Language: Jupyter Notebook - Size: 1.47 MB - Last synced at: 21 days ago - Pushed at: 21 days ago - Stars: 5 - Forks: 3
pritampanda15/Structify-Chemical-Structure-Converter
Structify is a lightweight and efficient tool for converting chemical structure file formats. Structify simplifies the process of converting between formats commonly used in computational chemistry and molecular docking workflows.
Language: Python - Size: 904 KB - Last synced at: 4 days ago - Pushed at: about 2 months ago - Stars: 4 - Forks: 0
scipion-chem/scipion-chem-rosetta
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
Language: Python - Size: 412 KB - Last synced at: 25 days ago - Pushed at: 25 days ago - Stars: 0 - Forks: 0
davidkastner/CADDKit
Collection of tools for computational chemists working in computer-aided drug design.
Language: Python - Size: 17.9 MB - Last synced at: 7 days ago - Pushed at: 26 days ago - Stars: 17 - Forks: 8
mfreiholz/Qt-Advanced-Docking-System
Advanced Docking System for Qt
Language: C++ - Size: 486 KB - Last synced at: 24 days ago - Pushed at: 9 months ago - Stars: 777 - Forks: 810
Lokyyn/Lucid
A WinForms Control Library with Theming, Docking and custom controls
Language: C# - Size: 1.29 MB - Last synced at: 16 days ago - Pushed at: 9 months ago - Stars: 13 - Forks: 1
rdk/p2rank
P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
Language: Groovy - Size: 675 MB - Last synced at: 29 days ago - Pushed at: about 2 months ago - Stars: 304 - Forks: 37
KrumkachevaLab/EPR-BindingSite
Identification of Protein-Ligand Binding Sites using dipolar EPR data
Language: Jupyter Notebook - Size: 5.56 MB - Last synced at: 30 days ago - Pushed at: 30 days ago - Stars: 1 - Forks: 0
zebulon75018/vcterm
Terminal with docking as Visual Code and integrating with helpfull features...
Language: C++ - Size: 1.69 MB - Last synced at: 30 days ago - Pushed at: 30 days ago - Stars: 37 - Forks: 0
Valdes-Tresanco-MS/AMDock
(Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
Language: Python - Size: 19.8 MB - Last synced at: about 7 hours ago - Pushed at: almost 2 years ago - Stars: 68 - Forks: 17
carlocamilloni/Structural-Bioinformatics
This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the University of Milano, originally inspired by https://github.com/pb3lab/ibm3202
Language: Jupyter Notebook - Size: 324 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 61 - Forks: 12
uulm-mrm/dynamic_objective_mpc
This repository contains the code of the IV2025 paper called "Dynamic Objective MPC for Motion Planning of Seamless Docking Maneuvers"
Language: Python - Size: 185 KB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 3 - Forks: 0
yuto-trd/ReDocking
Docking UI library for Avalonia like JetBrains IDEs.
Language: C# - Size: 470 KB - Last synced at: about 1 month ago - Pushed at: 6 months ago - Stars: 63 - Forks: 1
octavian-ganea/equidock_public
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
Language: Roff - Size: 112 MB - Last synced at: about 1 month ago - Pushed at: over 1 year ago - Stars: 239 - Forks: 59
matsunagalab/differentiable
test-bed for differentiable parameter optimization of molecular systems
Language: MAXScript - Size: 736 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 0 - Forks: 0
ale94mleon/moldrug
moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space
Language: Python - Size: 105 MB - Last synced at: 24 days ago - Pushed at: 2 months ago - Stars: 32 - Forks: 4
bibymaths/poster_nscb16
Identification of Potential Lead Molecule for Schizophrenia Through Docking-Based Approach
Size: 3.98 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 0 - Forks: 0
scipion-chem/scipion-chem-autodock
Scipion framework plugin for the use of tools provided by Autodock software suite
Language: Python - Size: 2.78 MB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 1 - Forks: 0
ngmsonvn/GBC-NP
Network pharmacology & Molecular docking of Green Bean Coffee for anti-obesity.
Language: Jupyter Notebook - Size: 2.88 MB - Last synced at: about 1 month ago - Pushed at: 3 months ago - Stars: 0 - Forks: 0
MobleyLab/drug-computing
Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
Language: Jupyter Notebook - Size: 576 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 151 - Forks: 43
jqntn/imgui98-sample
demo project for imgui98, running on win32/dx9
Language: C++ - Size: 10.7 KB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 1 - Forks: 0
baker-laboratory/PLACER
PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.
Language: Python - Size: 91 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 94 - Forks: 14
twoXes/awesome-structural-bioinformatics
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.
Language: Python - Size: 31.1 MB - Last synced at: 10 days ago - Pushed at: about 2 years ago - Stars: 70 - Forks: 10
RMeli/gnina-torch
🔥 PyTorch implementation of GNINA scoring function for molecular docking
Language: Python - Size: 32.7 MB - Last synced at: 30 days ago - Pushed at: 2 months ago - Stars: 61 - Forks: 6
QizhiPei/FABind
FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
Language: Python - Size: 1.17 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 124 - Forks: 17
Flix01/imgui Fork of ocornut/imgui
Dear ImGui Addons Branch = plain unmodified dear imgui plus some extra addon.
Language: C++ - Size: 170 MB - Last synced at: 16 days ago - Pushed at: almost 3 years ago - Stars: 401 - Forks: 36
ram-compbio/CANDO
Computational Analysis of Novel Drug Opportunities
Language: Python - Size: 12.1 MB - Last synced at: 17 days ago - Pushed at: 3 months ago - Stars: 36 - Forks: 11
Prospero1988/AutoDock_vina_pipeline
This repository provides an automated docking solution for ligands and receptor proteins using AutoDock Vina and P2Rank, enhanced with a Streamlit-based web interface for simple and intuitive browser-based operation. It supports high-throughput workflows and includes SLURM integration for advanced task management while remaining easy to use locally
Language: Python - Size: 18.8 MB - Last synced at: 28 days ago - Pushed at: 2 months ago - Stars: 4 - Forks: 1
DeepRank/deeprank 📦
This repository has been integrated in https://github.com/DeepRank/deeprank2
Language: Python - Size: 105 MB - Last synced at: 24 days ago - Pushed at: over 1 year ago - Stars: 144 - Forks: 25
abdulsalam-bande/swifty
This is a work to improve molecular docking speed. Normally docking a ligand on a target protein is done with some very complex functions and it is often slow. This work uses Neural Networks to model ligands on target proteins to measure whether they are active or not.
Language: Python - Size: 8.29 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 1 - Forks: 1
svenpaulsen/ts3client-dockwidget-plugin
TeamSpeak 3 Client Dock Widgets Plugin
Language: C++ - Size: 13.7 KB - Last synced at: 12 days ago - Pushed at: almost 2 years ago - Stars: 12 - Forks: 3
dannybanno/ImGui-OpenGL-Docking
ImGui application showing the implementation of Docking
Language: C++ - Size: 1020 KB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 2 - Forks: 0
GiovanniMerici/Autodock-Vina
Simple pipeline to execute molecular docking experiments
Language: Jupyter Notebook - Size: 3.17 MB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 2 - Forks: 0
UnixJunkie/MMO
Molecular Mechanics in OCaml
Language: OCaml - Size: 1.55 MB - Last synced at: 28 days ago - Pushed at: 4 months ago - Stars: 7 - Forks: 0
wieslawsoltes/AvaloniaDockApplication 📦
Sample Dock application.
Language: C# - Size: 172 KB - Last synced at: 4 months ago - Pushed at: over 2 years ago - Stars: 67 - Forks: 12
DrugBud-Suite/DockM8
All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
Language: Jupyter Notebook - Size: 246 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 36 - Forks: 5
emmelievanderveer/ACMDD
Code used in the elective course Advanced Computational Methods in Drug Discovery: AI and Physics-Based Simulations at Leiden University.
Language: Jupyter Notebook - Size: 39.5 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 0 - Forks: 0
raad1masum/ParrotNAV
🛸 An autonomous spacecraft docking system.
Language: Python - Size: 18.7 MB - Last synced at: 29 days ago - Pushed at: over 4 years ago - Stars: 4 - Forks: 1
bogrum/DockSpot
Ensemble docking tool project...
Language: Jupyter Notebook - Size: 722 KB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 0 - Forks: 0
GiatrasKon/PTEN-MolecularDynamics-DrugDesign
Comprehensive molecular dynamics simulations and drug design analysis for PTEN protein: workflows include protein dynamics, binding site detection, ligand screening, and filtering for therapeutic discovery.
Language: Jupyter Notebook - Size: 40.9 MB - Last synced at: about 1 month ago - Pushed at: 6 months ago - Stars: 0 - Forks: 0
gautammalik-git/AutoDock-GPU-Pipeline
This pipeline facilitates setting up ligand docking against a protein using AutoDock-GPU. It streamlines the process of docking a ligand library onto a protein structure, leveraging the enhanced performance of AutoDock-GPU for faster results.
Language: Python - Size: 43.9 KB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 3 - Forks: 0
azevedolab/sandres
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
Language: Python - Size: 419 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 17 - Forks: 8
XieResearchGroup/Physics-aware-Multiplex-GNN
Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular systems"
Language: Python - Size: 1.43 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 54 - Forks: 10
matsunagalab/capsid
Capsid tiling study
Language: Jupyter Notebook - Size: 795 MB - Last synced at: about 2 months ago - Pushed at: 7 months ago - Stars: 0 - Forks: 0
caduandrade/docking_flutter
Docking view for Flutter
Language: Dart - Size: 698 KB - Last synced at: 7 months ago - Pushed at: 7 months ago - Stars: 52 - Forks: 18
TOBAM-Group/mydoggy
A Java docking framework for use in cross-platform Swing applications
Language: Java - Size: 6.48 MB - Last synced at: 7 months ago - Pushed at: 7 months ago - Stars: 1 - Forks: 3
bshoshany/UltraDocker
A simple AutoHotkey script for easy docking of windows, aimed primarily at ultrawide monitors.
Language: AutoHotkey - Size: 2.88 MB - Last synced at: 2 months ago - Pushed at: over 3 years ago - Stars: 2 - Forks: 0
cch1999/posecheck
Pose checks for 3D Structure-based Drug Design methods
Language: Python - Size: 35.4 MB - Last synced at: 8 months ago - Pushed at: 9 months ago - Stars: 69 - Forks: 6
lbqc-uesb/biopep
Search, molecular modeling and molecular docking of peptides.
Language: Python - Size: 34.9 MB - Last synced at: 9 months ago - Pushed at: 9 months ago - Stars: 2 - Forks: 0
salilab/foxsdock
Web service for macromolecular docking with SAXS profiles
Language: Python - Size: 1.77 MB - Last synced at: 9 months ago - Pushed at: 9 months ago - Stars: 2 - Forks: 1
felbsn/NetDock.WPF
a modern docking windows approach for wpf
Language: C# - Size: 32.2 KB - Last synced at: 9 months ago - Pushed at: almost 2 years ago - Stars: 7 - Forks: 0
rglez/stdock_old
Effortless Integration of STD NMR Data and Docking Simulations
Language: Python - Size: 3.91 MB - Last synced at: 9 months ago - Pushed at: 9 months ago - Stars: 1 - Forks: 0
rivas-lab/Smiles2Dock
Smiles2Dock: an open large-scale multi-task dataset for ML-based molecular docking
Language: Python - Size: 218 MB - Last synced at: 5 months ago - Pushed at: 11 months ago - Stars: 6 - Forks: 0
quantori/scip-smina
Smina is fork of AutoDock Vina that is customized to better support scoring function development and high-performance energy minimization. smina is maintained by David Koes at the University of Pittsburgh and is not directly affiliated with the AutoDock project. This fork of Smina adds changes that allow it to run as a part of DockingFactory.
Language: C++ - Size: 2.84 MB - Last synced at: 3 months ago - Pushed at: over 2 years ago - Stars: 1 - Forks: 0
insilichem/gaudiview
UCSF Chimera extension to explore and analyze GaudiMM & GOLD solutions
Language: Python - Size: 288 KB - Last synced at: 17 days ago - Pushed at: over 3 years ago - Stars: 5 - Forks: 2
glomex/glomex-dialog
A dialog web component that allows docking a video player or putting it in a lightbox
Language: JavaScript - Size: 360 KB - Last synced at: 7 days ago - Pushed at: 10 months ago - Stars: 2 - Forks: 1
SyncfusionExamples/syncfusion-wpf-docking-manager-wpf-examples
Syncfusion WPF DockingManager examples
Size: 20.7 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 3 - Forks: 0
UnixJunkie/ligprep
LigGrep is a program for identifying docked poses that participate in user-specified receptor/ligand interactions. It evaluates each docked pose and outputs the names of the compounds with poses that pass all filters.
Language: Python - Size: 9.71 MB - Last synced at: about 1 month ago - Pushed at: over 4 years ago - Stars: 4 - Forks: 2
quantori/scip-dockingfactory
Docking Factory is a tool to automate molecular docking runs on an HPC cluster using the Dask framework. DockingFactory provides unified way of running molecular docking with different software backends: AutoDock Vina, Smina, Qvina2, and rDock.
Language: MATLAB - Size: 1.69 MB - Last synced at: 3 months ago - Pushed at: over 2 years ago - Stars: 1 - Forks: 0
dptech-corp/Uni-Dock
Uni-Dock: a GPU-accelerated molecular docking program
Language: C++ - Size: 61.1 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 160 - Forks: 36
YogiOnBioinformatics/Bioinformatics-for-Protein-Ligand-Interactions
Published work of mine in Pitt Biological Sciences Advising Blog about using Bioinformatics to predict Ligand-Protein interactions.
Size: 134 KB - Last synced at: about 1 year ago - Pushed at: almost 5 years ago - Stars: 0 - Forks: 0
quantaosun/biobb_wf_virtual-screening Fork of bioexcel/biobb_wf_virtual-screening
It can hardly goes wrong, classic and stable. pocket finding, protein prep, ligand prep, docking, online view
Language: HTML - Size: 14.7 MB - Last synced at: about 1 year ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 0
Valdes-Tresanco-MS/AMDock-win
(Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
Language: Python - Size: 110 MB - Last synced at: about 1 year ago - Pushed at: almost 3 years ago - Stars: 54 - Forks: 19
gdocking/gdock
Protein-Protein Docking using Genetic Algorithm
Language: Python - Size: 6.65 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 14 - Forks: 2
waltertamboer/dockspace-js
A Typescript/Javascript library to create a dockspace where panes can be managed.
Language: TypeScript - Size: 176 KB - Last synced at: 6 days ago - Pushed at: about 1 year ago - Stars: 0 - Forks: 0
beikwx/SailVina
SailVina重构增强版
Language: Python - Size: 38.2 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 72 - Forks: 34
michabirklbauer/PIAWeb 📦
PIAWeb - a graphical web interface for PIA
Language: Python - Size: 59.6 KB - Last synced at: 22 days ago - Pushed at: over 2 years ago - Stars: 3 - Forks: 0
Krypton-Suite-Legacy-Archive/Krypton-NET-5.470 📦
A update to Component factory's krypton toolkit to support the .NET 4.7 framework.
Language: HTML - Size: 904 MB - Last synced at: about 3 hours ago - Pushed at: over 4 years ago - Stars: 78 - Forks: 20
CBDD/rDock
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.
Language: C++ - Size: 20.8 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 23 - Forks: 19
quantaosun/Dock-MD-BPMD
Open-sourced. A cloud-based workflow to evaluate the confidence of a given docked pose with binding pose metadynamics
Language: Jupyter Notebook - Size: 611 KB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 0 - Forks: 0