A DDG benchmark capture containing the benchmark dataset and benchmarked protocol captures.
☆17Jan 31, 2016Updated 10 years ago
Alternatives and similar repositories for ddg
Users that are interested in ddg are comparing it to the libraries listed below
Sorting:
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Jan 3, 2026Updated last month
- Probabilistic Multi-Parameter Optimization (pMPO)☆17Apr 7, 2017Updated 8 years ago
- Metal and Water prediction☆13Feb 5, 2025Updated last year
- A fork of Autodock Vina for DeltaVina scoring function☆10Nov 7, 2016Updated 9 years 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
- McDock: Simple Monte Carlo docking algorithm in C++☆11Feb 10, 2017Updated 9 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Apr 4, 2019Updated 6 years ago
- Computationally Restoring the Potency of a Clinical Antibody☆19Mar 1, 2024Updated 2 years ago
- Antibody Binding Mutational Database☆40Apr 10, 2019Updated 6 years ago
- ☆17Dec 13, 2020Updated 5 years ago
- Protein-protein binding affinity benchmark☆16Feb 14, 2025Updated last year
- Elastic Network Contact Model (coarse-grained Normal Mode Analysis software)☆14Jul 29, 2017Updated 8 years ago
- Neurally-derived Potts models for protein design, inspired by dTERMen☆14Aug 23, 2022Updated 3 years ago
- ABC of chemoinformatics☆20Aug 3, 2018Updated 7 years ago
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆20Nov 22, 2016Updated 9 years ago
- ☆17Oct 30, 2015Updated 10 years ago
- Python script that creates 2D protein-ligand interaction images☆14Apr 23, 2018Updated 7 years ago
- Code used in the manuscript for De Novo Design of Bioactive Protein Switches☆16May 16, 2019Updated 6 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Sep 29, 2025Updated 5 months ago
- Utilities for working with the RDKit☆20Sep 5, 2016Updated 9 years ago
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆21Apr 12, 2019Updated 6 years ago
- Open Drug Discovery Toolkit (ODDT) Notebooks 101☆20Jun 22, 2018Updated 7 years ago
- screenlamp is a Python toolkit for hypothesis-driven virtual screening☆24Mar 19, 2018Updated 7 years ago
- ☆21Jul 16, 2020Updated 5 years ago
- A simple Python library to generate model peptides☆96Nov 29, 2020Updated 5 years ago
- scripts and facilities for in-silico mutagenesis with FoldX☆66Jan 5, 2026Updated last month
- pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction☆31Sep 16, 2021Updated 4 years ago
- Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure☆52Mar 7, 2025Updated 11 months ago
- Spatiotemporal identification of druggable binding sites using deep learning☆22Mar 16, 2021Updated 4 years ago
- A platform to do RNA science☆27Mar 7, 2021Updated 4 years ago
- hyb: a bioinformatics pipeline for the analysis of CLASH (crosslinking, ligation and sequencing of hybrids) data☆13Jul 12, 2024Updated last year
- Automated omics-scale protein modeling and simulation setup.☆53Sep 20, 2021Updated 4 years ago
- ☆61Apr 9, 2024Updated last year
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆24Mar 26, 2020Updated 5 years ago
- coming soon☆28May 9, 2023Updated 2 years ago
- ☆30May 15, 2025Updated 9 months ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆380Sep 16, 2025Updated 5 months ago
- ☆63May 2, 2019Updated 6 years ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆75Feb 19, 2026Updated last week