xuhuihuang / GME_tutorialsLinks
Tutorials for non-Markovian dynamic models (qMSM and IGME) to study protein dynamics.
☆23Updated 11 months ago
Alternatives and similar repositories for GME_tutorials
Users that are interested in GME_tutorials are comparing it to the libraries listed below
Sorting:
- ☆68Updated last year
- ☆67Updated last month
- mdml: Deep Learning for Molecular Simulations☆43Updated 2 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆51Updated last week
- ☆45Updated 2 months ago
- Adding hydrogens to molecular models☆45Updated 8 months ago
- Modeling with limited data☆59Updated last week
- ☆33Updated 9 months ago
- Statistical models for biomolecular dynamics☆37Updated 2 months ago
- Fast, accurate, and deterministic protein side-chain packing☆33Updated 4 months ago
- Simple protein-ligand complex simulation with OpenMM☆85Updated last year
- ☆54Updated 2 years ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆83Updated 3 weeks ago
- Calculation of interatomic interactions in molecular structures☆100Updated 10 months ago
- ☆28Updated last year
- Random Acceleration Molecular Dynamics in GROMACS☆37Updated 11 months ago
- FreeSASA Python Module☆55Updated last year
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆85Updated 5 months ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆71Updated 5 months ago
- Force Fields☆64Updated 5 months ago
- The public versio☆59Updated 2 years ago
- Trusted force field files for gromacs☆53Updated 8 months ago
- Convert coarse-grained protein structure to all-atom model☆40Updated last month
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆140Updated 5 months ago
- A benchmark for 3D biomolecular structure prediction models☆59Updated 2 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆78Updated this week
- Material from papers from KULL centre☆69Updated last year
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆34Updated 5 months ago
- It's a package for evaluation of predicted poses, right?☆58Updated last week
- ☆19Updated 2 months ago