45 results found Sort:
- Filter by Primary Language:
- Python (22)
- C# (6)
- C++ (5)
- Jupyter Notebook (3)
- TypeScript (2)
- JavaScript (1)
- Java (1)
- Groovy (1)
- Roff (1)
- Rust (1)
- Dart (1)
- +
Zero dependency Docking Layout Manager. Supports Vanilla TypeScript, React and Vue.
Created
2020-06-24
1,783 commits to master branch, last one 6 days ago
Our own development branch of the well known WPF document docking library
Created
2017-12-10
969 commits to master branch, last one about a year ago
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Created
2022-10-04
93 commits to main branch, last one 6 months ago
A docking layout system.
Created
2018-05-20
2,619 commits to master branch, last one 18 days ago
Dark themed control and docking library for .NET WinForms.
Created
2015-09-18
135 commits to master branch, last one 4 years ago
Advanced Docking System for Qt
Created
2015-12-09
119 commits to master branch, last one 8 years ago
Docking support for egui – an immediate-mode GUI library for Rust
Created
2022-07-29
146 commits to main branch, last one about a month ago
An update to Component factory's krypton toolkit to support .NET Framework 4.6.2 - 4.8.1 to .NET 8 - 9
Created
2020-02-26
1,198 commits to master branch, last one 4 months ago
Open Drug Discovery Toolkit
Created
2014-08-20
765 commits to master branch, last one 3 years ago
Interaction Fingerprints for protein-ligand complexes and more
Created
2020-01-08
193 commits to master branch, last one 10 days ago
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
dna
docking
protein
peptides
chemistry
proteomics
bioinformatics
protein-design
protein-docking
molecular-biology
protein-structure
structural-biology
swarm-intelligence
bioinformatics-tool
molecular-structures
artificial-intelligence
protein-dna-interactions
structural-bioinformatics
glowworm-swarm-optimization
protein-protein-interaction
Created
2019-09-27
488 commits to master branch, last one about a year ago
P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
Created
2016-09-25
1,718 commits to develop branch, last one 14 days ago
Plausibility checks for generated molecule poses.
Created
2023-07-13
67 commits to main branch, last one a day ago
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
Created
2022-02-04
20 commits to main branch, last one 2 years ago
Uni-Dock: a GPU-accelerated molecular docking program
Created
2023-05-26
350 commits to main branch, last one 14 days ago
Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
Created
2017-10-21
558 commits to master branch, last one 14 days ago
This repository has been integrated in https://github.com/DeepRank/deeprank2
This repository has been archived
(exclude archived)
Created
2017-09-12
1,129 commits to master branch, last one about a year ago
A TypeScript HTML Docking Framework (fork of dock-spawn)
Created
2019-05-26
328 commits to master branch, last one 4 days ago
Official repo of the modular BioExcel version of HADDOCK
Created
2019-03-13
4,641 commits to main branch, last one 15 days ago
FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
Created
2023-10-10
74 commits to main branch, last one 19 days ago
Official repository for the Deep Docking protocol
Created
2021-05-31
89 commits to main branch, last one about a year ago
Modern docking framework for Java Swing
Created
2022-05-08
408 commits to main branch, last one 25 days ago
PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.
Created
2025-01-23
4 commits to main branch, last one 17 days ago
An awesome & curated list of docking papers
Created
2023-11-23
76 commits to main branch, last one 16 days ago
📐 Symmetry-corrected RMSD in Python
Created
2019-10-10
604 commits to develop branch, last one 4 months ago
SailVina重构增强版
Created
2019-08-23
61 commits to master branch, last one 11 months ago
Pose checks for 3D Structure-based Drug Design methods
Created
2023-09-24
86 commits to main branch, last one 4 months ago
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.
Created
2021-03-21
175 commits to main branch, last one about a year ago
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 Gi...
Created
2019-06-26
151 commits to master branch, last one 2 years ago
(Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
Created
2018-02-20
310 commits to master branch, last one about a year ago