CHAP is a tool for the functional annotation of ion channel structures:
☆22Jan 17, 2024Updated 2 years ago
Alternatives and similar repositories for chap
Users that are interested in chap are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Source code for HOLE program.☆40Aug 15, 2024Updated last year
- A Python toolkit for the analyis of lipid membrane simulations☆35Oct 24, 2025Updated 7 months ago
- The MDAnalysis Toolkits Registry☆19Updated this week
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…☆59May 3, 2024Updated 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.
- Robust Equilibration Detection☆29Feb 2, 2026Updated 4 months ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆83Sep 5, 2024Updated last year
- ☆20Jun 26, 2020Updated 5 years ago
- Implementation of the Pairformer model used in AlphaFold 3☆14May 25, 2026Updated 2 weeks ago
- References, presentations and other resources☆15Oct 31, 2023Updated 2 years ago
- Python code for generating Boresch restraints from MD simulations☆22Oct 11, 2025Updated 7 months ago
- The repository with the tutorial on how to run MD simulations in python☆35Mar 30, 2022Updated 4 years ago
- persistent, pythonic trees for heterogeneous data☆33May 20, 2022Updated 4 years ago
- How to make images for publication using VMD☆45May 5, 2021Updated 5 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford Un…☆32Mar 21, 2023Updated 3 years ago
- MD DaVis: A python package to analyze molecular dynamics trajectories of proteins☆17Feb 17, 2025Updated last year
- Clustering tool for biomolecular structural ensembles and data in general.☆10Aug 24, 2020Updated 5 years ago
- Molecular visualization for MDAnalysis with MolecularNodes in Blender☆21Mar 30, 2025Updated last year
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆30May 2, 2020Updated 6 years ago
- Fortran Design Patterns.（Fortran语言设计模式）☆16Jul 25, 2024Updated last year
- Temperature generator for Replica Exchange MD simulations☆30Dec 14, 2022Updated 3 years ago
- Tools to add restraints to FEP runs. Includes a workflow to determine reference structures and restraint widths from plain MD simulations…☆13Mar 12, 2026Updated 2 months ago
- A Christmas tree protein☆19Dec 27, 2024Updated last year
- 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.
- RESP with inter- and intra-molecular constraints in Psi4.☆32May 26, 2023Updated 3 years ago
- Parallel algorithms for MDAnalysis☆31Aug 2, 2024Updated last year
- Advanced toolkit for binding free energy calculations☆36Sep 2, 2025Updated 9 months ago
- Software for the prediction of DEER and PRE data from conformational ensembles.☆14May 6, 2025Updated last year
- ☆18Oct 30, 2023Updated 2 years ago
- ☆10Feb 18, 2026Updated 3 months ago
- Helper function for Markov State Models☆11Jun 25, 2024Updated last year
- Atom-by-atom design of metal oxide catalysts for the oxygen evolution reaction with Machine Learning☆12Oct 19, 2023Updated 2 years ago
- NAMD QM/MM Tutorial on Free Energy Profile of Reaction Mechanisms☆15Sep 14, 2018Updated 7 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Reads Gromacs EDR file to populate a pandas dataframe☆33Oct 12, 2025Updated 7 months ago
- A python toolkit for analysing membrane protein-lipid interactions.☆71Mar 30, 2026Updated 2 months ago
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Jan 24, 2017Updated 9 years ago
- ☆50Apr 14, 2026Updated last month
- Code associated with: AutoStepfinder: A fast and automated step detection method for single-molecule analysis Luuk Loeff, Jacob W J Kerss…☆12Jun 12, 2024Updated last year
- ☆16May 11, 2026Updated 3 weeks ago
- Gibbs sampling for expanded ensembles and replica exchange simulations☆11Jun 1, 2014Updated 12 years ago