Docking Tool Benchmarking Workflow
☆25Jul 17, 2024Updated last year
Alternatives and similar repositories for PickyBinder
Users that are interested in PickyBinder are comparing it to the libraries listed below
Sorting:
- Python package for handling ModelCIF mmCIF and BinaryCIF files☆13Feb 12, 2026Updated 2 weeks ago
- ☆18Aug 28, 2023Updated 2 years ago
- ☆22May 15, 2019Updated 6 years ago
- Repository for Fast Non-autoregressive Inverse Folding with Discrete Diffusion☆18Feb 8, 2024Updated 2 years ago
- A high performance drop-in replacement for Biotite's PDBFile.☆41May 27, 2025Updated 9 months ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 2 years ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆57Jun 24, 2025Updated 8 months ago
- Code for ApoDock☆21Apr 7, 2025Updated 10 months ago
- A python implementation of pdb2oniom for QM/MM (ONIOM) calculations☆10Oct 2, 2025Updated 4 months ago
- App for serotonergic targets☆12Jan 8, 2026Updated last month
- ☆21Dec 11, 2024Updated last year
- A Light-Weight And Interpretable Molecular Docking Model☆25Oct 23, 2024Updated last year
- 2D portraits of 3D protein structures☆27Sep 30, 2025Updated 5 months ago
- Code, intermediate results and an interactive visualisation on prediction of putative novel enzymes and small molecule binding proteins p…☆27Aug 9, 2023Updated 2 years ago
- ☆10Apr 1, 2024Updated last year
- ☆13Mar 17, 2024Updated last year
- Generates images from mmCIF/BCIF files☆44Aug 8, 2025Updated 6 months ago
- Send data to and from pymol from a remote server (e.g. a cluster running deep learning workflows)☆36Feb 17, 2025Updated last year
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆30Apr 26, 2024Updated last year
- pyFoldX: python bindings for FoldX.☆54Aug 16, 2021Updated 4 years ago
- Mutational Effect Transfer Learning (METL) framework for pretraining and finetuning biophysics-informed protein language models☆60Feb 3, 2026Updated 3 weeks ago
- Protein-ligand structure prediction☆238Jul 31, 2025Updated 7 months ago
- Semantic Segmentor for Protein Structures.☆11Dec 20, 2021Updated 4 years ago
- Demo plugin for PyMOL with PyQt☆12Jun 14, 2019Updated 6 years ago
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆14Mar 22, 2023Updated 2 years ago
- Protein Origami via Genetic Fusions☆17Sep 19, 2022Updated 3 years ago
- ☆36Dec 7, 2025Updated 2 months ago
- 🧬 Fusion of protein sequence and structural information, using denoising pre-training network for zero-shot protein engineering (eLife 2…☆82May 16, 2025Updated 9 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated this week
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆37Jan 18, 2026Updated last month
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Mar 7, 2025Updated 11 months ago
- A Java library for handling text and BinaryCIF files.☆13Jan 13, 2026Updated last month
- Repository for "Nearest neighbor search on embeddings rapidly identifies distant protein relations"☆13Apr 2, 2023Updated 2 years ago
- ☆15Sep 26, 2025Updated 5 months ago
- Protein function prediction using protein structures and deep graph neural networks.☆19Jan 24, 2025Updated last year
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆14Nov 14, 2025Updated 3 months ago
- ☆32Mar 19, 2023Updated 2 years ago
- Scores for Hydrophobicity and Charges based on SASAs☆41Jun 12, 2025Updated 8 months ago
- Toolkit for structure-based deep learning on RNA.☆44Feb 9, 2026Updated 2 weeks ago