akiyamalab / MEGADOCKView external linksLinks
An ultra-high-performance protein-protein docking for heterogeneous supercomputers
☆71Dec 10, 2023Updated 2 years ago
Alternatives and similar repositories for MEGADOCK
Users that are interested in MEGADOCK are comparing it to the libraries listed below
Sorting:
- MEGADOCK on Google Colaboratory☆20Oct 2, 2023Updated 2 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Sep 29, 2025Updated 4 months ago
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Nov 17, 2022Updated 3 years ago
- ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)☆19Jul 18, 2025Updated 6 months ago
- Predict the binding affinity of protein-protein complexes from structural data☆172Oct 3, 2025Updated 4 months ago
- A simple Python library to generate model peptides☆95Nov 29, 2020Updated 5 years ago
- Pipeline for protein-protein interaction prediction☆27Feb 22, 2022Updated 3 years ago
- Automated omics-scale protein modeling and simulation setup.☆53Sep 20, 2021Updated 4 years ago
- ABC of chemoinformatics☆20Aug 3, 2018Updated 7 years ago
- Official repo of the modular BioExcel version of HADDOCK☆222Feb 4, 2026Updated last week
- ☆28Dec 11, 2025Updated 2 months ago
- ☆10Dec 4, 2021Updated 4 years ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆24Mar 26, 2020Updated 5 years ago
- Fast and accurate protein structure prediction☆57Jan 17, 2025Updated last year
- Ligand-Receptor docking with AutoDock Vina☆12Mar 21, 2024Updated last year
- SPRINT: Scoring PRotein INTeractions☆16Aug 11, 2020Updated 5 years ago
- Parallelized Open Babel & Autodock suite Pipeline☆24Mar 15, 2018Updated 7 years ago
- AbEpiTope-1.0 is a computational tool that features two scores: AbEpiScore-1.0, designed for assessing the accuracy of modelled AbAg inte…☆29Oct 5, 2025Updated 4 months ago
- A toolkit for predicting the binding mode of small molecules interacting with proteins based on interfacial rigidification, as assessed b…☆10Nov 22, 2016Updated 9 years ago
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆15Feb 20, 2023Updated 2 years ago
- McDock: Simple Monte Carlo docking algorithm in C++☆11Feb 10, 2017Updated 9 years ago
- iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machi…☆31Jun 25, 2022Updated 3 years ago
- Python interface for the RCSB search API.☆20Mar 20, 2024Updated last year
- Learning protein representation for rigid-body docking☆22Nov 2, 2019Updated 6 years ago
- ☆24Apr 17, 2025Updated 9 months ago
- Deep learning protein-protein binding sites prediction☆22Feb 2, 2023Updated 3 years ago
- UCSF BMI219 Deep Learning (2017), Coding example (Prediction of protein folding with RNN and CNN)☆16May 10, 2017Updated 8 years ago
- ☆13Jul 13, 2019Updated 6 years ago
- Predict the structure of immune receptor proteins☆171Nov 11, 2025Updated 3 months ago
- Python package for virtual screening of generated molecules using autodock-vina and tensorflow☆14Mar 22, 2021Updated 4 years ago
- Gene orthologs for model organisms in a tidy data format☆14Sep 29, 2022Updated 3 years ago
- ZDOCK predictions and PDB structures in C++ and Python☆14Jan 1, 2024Updated 2 years ago
- EvolveX, a de novo antibody computational design pipeline.☆22Sep 18, 2025Updated 4 months ago
- Tool(s) for cleaning, munging and analysing PDB files for structural bioinformatics analysis.☆14May 29, 2019Updated 6 years ago
- PDBFixer fixes problems in PDB files☆622Oct 30, 2025Updated 3 months ago
- AlphaFold-initiated replica exchange protein docking☆87Jun 5, 2025Updated 8 months ago
- Predicting direct protein-protein interactions with AlphaFold deep learning neural network models.☆168Sep 8, 2024Updated last year
- Protein surface topographical mapping tool☆29Aug 17, 2023Updated 2 years ago
- ☆13Jul 11, 2017Updated 8 years ago