julie-forman-kay-lab / IDPConformerGeneratorView external linksLinks
Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space
☆31Dec 18, 2025Updated last month
Alternatives and similar repositories for IDPConformerGenerator
Users that are interested in IDPConformerGenerator are comparing it to the libraries listed below
Sorting:
- ☆29May 31, 2023Updated 2 years ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated 10 months ago
- ☆91Sep 25, 2024Updated last year
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Oct 2, 2024Updated last year
- ☆32Sep 23, 2023Updated 2 years ago
- ☆47Apr 16, 2025Updated 10 months ago
- Python package for efficient analysis of HILLS files generated by Plumed metadynamics simulations. Inspired by the Metadynminer package f…☆21Feb 2, 2026Updated 2 weeks ago
- A fast sampling and analysis tool for biomolecules☆16Jan 20, 2025Updated last year
- Colorblind-friendly, perceptually uniform palettes for pymol☆20Jan 25, 2021Updated 5 years ago
- Material from papers from KULL centre☆71May 29, 2024Updated last year
- ☆51Jan 2, 2025Updated last year
- Structure prediction of alternative protein conformations☆81Feb 24, 2025Updated 11 months ago
- A JavaScript molecular graphics program☆22Updated this week
- Multiscale Simulation Tool for Backmapping☆22Feb 7, 2026Updated last week
- development repository for PyInteraph2☆22Mar 26, 2025Updated 10 months ago
- Software package for FEP☆22Feb 2, 2026Updated 2 weeks ago
- Main repository for METAGUI3☆20Jun 19, 2021Updated 4 years ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆64Dec 22, 2025Updated last month
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆67Feb 1, 2024Updated 2 years ago
- ☆58Mar 14, 2023Updated 2 years ago
- Analysis of non-covalent interactions in MD trajectories☆66Jan 3, 2025Updated last year
- ProQDock is a Protein-Protein docking scoring program that uses high level coordinate driven features compiled and trained by a Support V…☆11Dec 11, 2021Updated 4 years ago
- ☆12Aug 3, 2023Updated 2 years ago
- Coarse-grained simulations of biomolecular complexes☆13Aug 2, 2023Updated 2 years ago
- ☆10Sep 17, 2024Updated last year
- Weighted Ensemble Data Analysis and Plotting☆26Dec 11, 2025Updated 2 months ago
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆13May 23, 2025Updated 8 months ago
- Python based Graphical User Interface for generating input files for and running molecular dynamic simulation.☆10Aug 27, 2024Updated last year
- ☆12Jul 5, 2024Updated last year
- A fork of Autodock Vina for DeltaVina scoring function☆10Nov 7, 2016Updated 9 years ago
- Python scripts to manipulate Relion tomo STAR files and much more...☆14Sep 12, 2025Updated 5 months ago
- EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks☆27Aug 6, 2025Updated 6 months ago
- Precise Generation of Conformational Ensembles for Intrinsically Disordered Proteins with IDPFold☆26Sep 13, 2024Updated last year
- Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz☆14Jun 14, 2024Updated last year
- ☆13Jun 7, 2024Updated last year
- Convert coarse-grained protein structure to all-atom model☆51Jun 7, 2025Updated 8 months ago
- SE(3) diffusion models for generating CDR loops☆10Feb 6, 2024Updated 2 years ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 2 years ago
- Clustering tool for biomolecular structural ensembles and data in general.☆10Aug 24, 2020Updated 5 years ago