Docking Tool Benchmarking Workflow
☆25Jul 17, 2024Updated 2 years ago
Alternatives and similar repositories for PickyBinder
Users that are interested in PickyBinder are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python package for handling ModelCIF mmCIF and BinaryCIF files☆14Updated this week
- ☆23Dec 11, 2024Updated last year
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 3 years ago
- Repository for Fast Non-autoregressive Inverse Folding with Discrete Diffusion☆19Feb 8, 2024Updated 2 years ago
- A python implementation of pdb2oniom for QM/MM (ONIOM) calculations☆12Oct 2, 2025Updated 9 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆17Sep 26, 2025Updated 9 months ago
- ☆18Aug 28, 2023Updated 2 years ago
- ☆13Mar 17, 2024Updated 2 years ago
- ☆10Apr 1, 2024Updated 2 years ago
- Code for ApoDock☆21Apr 7, 2025Updated last year
- Protein-ligand structure prediction☆240Jul 31, 2025Updated 11 months ago
- 2D portraits of 3D protein structures☆27May 14, 2026Updated 2 months ago
- pyFoldX: python bindings for FoldX.☆59Aug 16, 2021Updated 4 years ago
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆42Oct 9, 2024Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Docking Tutorial Using Autodock Vina version 1.2.3 (2021) and AutoDock-GPU Version 1.5.3☆32Aug 27, 2024Updated last year
- ☆27May 15, 2019Updated 7 years ago
- Structure-aware PRotein ligand INTeraction (SPRINT) is a ultrafast deep learning framework for drug-target interaction prediction.☆19Feb 19, 2026Updated 5 months ago
- Docking_py is a python library allowing a simplified use of the Smina, vina, qvina2 and qvinaw docking software. Docking_py can be easily…☆67Jan 13, 2025Updated last year
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆64Mar 3, 2026Updated 4 months ago
- A benchmark dataset for protein-ligand co-folding prediction☆80Aug 13, 2025Updated 11 months ago
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆13Nov 14, 2025Updated 8 months ago
- Demo plugin for PyMOL with PyQt☆12Jun 14, 2019Updated 7 years ago
- ☆15Jun 25, 2026Updated last month
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆31Mar 14, 2026Updated 4 months ago
- Repository for "Nearest neighbor search on embeddings rapidly identifies distant protein relations"☆13Apr 2, 2023Updated 3 years ago
- Plugin for folding sequences directly in PyMOL☆119Aug 4, 2025Updated 11 months ago
- A Light-Weight And Interpretable Molecular Docking Model☆26Oct 23, 2024Updated last year
- Generates images from mmCIF/BCIF files☆46Updated this week
- Cloud-based Drug Binding Structure Prediction☆48Jul 13, 2026Updated last week
- A high performance drop-in replacement for Biotite's PDBFile.☆43Jun 21, 2026Updated last month
- Code, intermediate results and an interactive visualisation on prediction of putative novel enzymes and small molecule binding proteins p…☆28Aug 9, 2023Updated 2 years ago
- Joint sequence and structure generation with RoseTTAFold sequence space diffusion☆333Oct 28, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆34Mar 19, 2023Updated 3 years ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆300Dec 23, 2025Updated 7 months ago
- Repository of codes and data for Estrogen Receptor Alpha QSAR modeling☆19Mar 27, 2018Updated 8 years ago
- Implementation of AlphaFold 3 in PyTorch Lightning + Hydra☆39Oct 4, 2024Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Feb 27, 2026Updated 4 months ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Mar 7, 2025Updated last year
- Semantic Segmentor for Protein Structures.☆11Dec 20, 2021Updated 4 years ago