Docking benchmark 5 - cleaned and ready to use for HADDOCK
☆14Nov 17, 2025Updated 3 months ago
Alternatives and similar repositories for BM5-clean
Users that are interested in BM5-clean are comparing it to the libraries listed below
Sorting:
- Protein-Protein Docking using Genetic Algorithm☆20Feb 8, 2026Updated 3 weeks ago
- Structural space exploration of AlphaFold DB☆12Oct 8, 2021Updated 4 years ago
- Protein common interface databases☆10Apr 13, 2019Updated 6 years ago
- The code for NeurIPS 2023 paper DSR☆14Oct 8, 2023Updated 2 years ago
- Semantic Segmentor for Protein Structures.☆11Dec 20, 2021Updated 4 years ago
- An open-source library for the analysis of protein interactions.☆33Dec 5, 2021Updated 4 years ago
- A software research tool for the analysis of structural communication in protein ensembles☆14Mar 24, 2022Updated 3 years ago
- Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking☆13Apr 28, 2021Updated 4 years ago
- ProteinFeatureAnalyzer extracts, analyzes and visualizes features from protein structures.☆14Mar 14, 2020Updated 5 years ago
- Python package for handling ModelCIF mmCIF and BinaryCIF files☆13Feb 12, 2026Updated 2 weeks ago
- https://grasp.ufv.br/☆15Jul 6, 2023Updated 2 years ago
- ZDOCK predictions and PDB structures in C++ and Python☆14Jan 1, 2024Updated 2 years ago
- Python package for virtual screening of generated molecules using autodock-vina and tensorflow☆14Mar 22, 2021Updated 4 years ago
- This script can clean up the disordered region in the AlphaFold DB structures to adapt it to the molecular docking, extract the sequence …☆15Apr 20, 2023Updated 2 years ago
- Python Bioinformatics Toolkit for CATH (Protein Classification Database @ UCL)☆16Sep 30, 2024Updated last year
- software used in paper "Antibody interface prediction with 3D Zernike descriptors and SVM"☆13Mar 28, 2021Updated 4 years ago
- ☆14Jan 11, 2022Updated 4 years ago
- Graph Network for protein-protein interface including language model features☆34Mar 26, 2024Updated last year
- Visualization tool for changing networks☆20May 11, 2018Updated 7 years ago
- Protein-protein binding affinity benchmark☆16Feb 14, 2025Updated last year
- PDNET: A fully open-source framework for deep learning protein real-valued distances☆36May 30, 2021Updated 4 years ago
- [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction☆16Jun 6, 2024Updated last year
- Deep ResNet-based protein contact prediction☆20Mar 30, 2020Updated 5 years ago
- Convert PDB residues to their Uniprot equivalents☆17Mar 31, 2020Updated 5 years ago
- ☆21Aug 22, 2022Updated 3 years ago
- A program fror inter-protein contact prediction from structures of interacting proteins☆20Jun 1, 2024Updated last year
- ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)☆19Jul 18, 2025Updated 7 months ago
- Protein-ligand binding sites prediction toolkits☆21Jan 2, 2019Updated 7 years ago
- Learning protein representation for rigid-body docking☆22Nov 2, 2019Updated 6 years ago
- Deep convolutional neural networks for protein contact map prediction☆23Aug 5, 2019Updated 6 years ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Aug 12, 2021Updated 4 years ago
- A geometric deep learning framework (Geometric Transformers) for predicting protein interface contacts. (ICLR 2022)☆64Jun 20, 2022Updated 3 years ago
- ResPRE is an algorithm for protein residue-residue contact-map prediction☆21May 20, 2019Updated 6 years ago
- Protein Interface Prediction using Graph Convolutional Networks☆93Oct 2, 2020Updated 5 years ago
- GREMLIN - learn MRF/potts model from input multiple sequence alignment! Implementation now available in C++ and Tensorflow/Python!☆59Oct 17, 2022Updated 3 years ago
- 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
- EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks☆27Aug 6, 2025Updated 6 months ago
- ☆27Feb 16, 2022Updated 4 years ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Apr 27, 2023Updated 2 years ago