HDXer is a package to compute Hydrogen-Deuterium exchange data from biomolecular simulations, compare to experiment, and perform ensemble refinement to fit a structrual ensemble to the experimental data
☆21Apr 17, 2023Updated 3 years ago
Alternatives and similar repositories for HDXer
Users that are interested in HDXer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A manually curated lists of software, publications and other resources related to the analysis of HDX-MS data.☆12Dec 15, 2025Updated 7 months ago
- Derive ΔG for single residues from HDX-MS data☆31Mar 30, 2026Updated 4 months ago
- Modeling with limited data☆65Dec 15, 2025Updated 7 months ago
- BioEn - Bayesian Inference Of ENsembles☆24Feb 6, 2024Updated 2 years ago
- Integrating Molecular Simulation and Experimental Data☆27Sep 19, 2021Updated 4 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ADOPT: intrinsic protein disorder prediction through deep bidirectional transformers☆18Dec 3, 2024Updated last year
- Axel Kohlmeyer's development repository of the LAMMPS MD software package☆12Updated this week
- Example files for Colvars module: https://github.com/Colvars/colvars☆14Dec 7, 2021Updated 4 years ago
- A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations☆14Feb 20, 2023Updated 3 years ago
- Calculating paramagnetic NMR effects in proteins☆10May 20, 2022Updated 4 years ago
- Bayesian inference of conformational populations☆14Jun 11, 2025Updated last year
- Protocols for running MD simulations in Gromacs☆11Jun 18, 2024Updated 2 years ago
- Adaptive string method implementation in AmberTools23 and Amber22☆15Jan 7, 2025Updated last year
- Python Modeling Interface☆14Updated this week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Analysis and Visualisation of Hydrogen/Deuterium Exchange Mass Spectrometry Data☆11Sep 3, 2025Updated 11 months ago
- This is a R package for alignment of DIA mass-spec data☆12Jan 31, 2026Updated 6 months ago
- Deep Neural Networks for Analysing NMR time domain data☆14Aug 4, 2026Updated last week
- BMRB data visualization tools using python Plotly☆15Aug 21, 2025Updated 11 months ago
- This site contains all document relevant for the Machine Learning courses of the Erasmus+ network. Jupyter-book link at https://compphys…☆14Jan 18, 2024Updated 2 years ago
- Methods of druglikeness prediction☆16Nov 7, 2022Updated 3 years ago
- Interactive NMR peak deconvolution☆20Sep 17, 2025Updated 10 months ago
- ☆34Sep 23, 2023Updated 2 years ago
- Apt, Brew, and Choco dependencies in one action. Easy as ABC!☆15Nov 28, 2021Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Openfold inference architecture for Amazon EKS☆11Oct 1, 2024Updated last year
- The standalone version / cli-tool of SPOT-Contact-Single available for public use for research purposes.☆16Feb 1, 2024Updated 2 years ago
- ☆20Nov 12, 2024Updated last year
- Practical Cheminformatics Blog Posts☆73Feb 10, 2026Updated 6 months ago
- Grid generation for scientific computations☆17Mar 6, 2022Updated 4 years ago
- Repository of the data for PLUMED Masterclass 22.3☆15Jul 10, 2024Updated 2 years ago
- See http://dx.doi.org/10.1039/C7SC04156J for more details☆11Aug 28, 2023Updated 2 years ago
- Compare optimized geometries and energies from various force fields with respect to a QM reference.☆14Apr 19, 2021Updated 5 years ago
- Bib'23: Improved the Heterodimer Protein Complex Prediction with Protein Language Models☆15Dec 21, 2023Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆25Dec 15, 2025Updated 7 months ago
- Exploratory PyMOL-MDAnalysis molecular visualization system.☆19Apr 14, 2022Updated 4 years ago
- Accurate prediction of protein pKa with representation learning☆46Feb 15, 2025Updated last year
- ☆17Sep 4, 2022Updated 3 years ago
- Global analysis platform for fluorescence data☆12Jul 11, 2026Updated last month
- ☆15Jun 11, 2024Updated 2 years ago
- A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling metho…☆24Sep 26, 2024Updated last year