sosnicklab / upside2-mdLinks
☆25Updated 2 weeks ago
Alternatives and similar repositories for upside2-md
Users that are interested in upside2-md are comparing it to the libraries listed below
Sorting:
- Convert coarse-grained protein structure to all-atom model☆46Updated 4 months ago
- Coarse-grained molecular dynamics for protein physics. NOTE: this has been superseded by Upside 2: https://github.com/sosnicklab/upside2-…☆24Updated 3 years ago
- ☆74Updated last week
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆86Updated 3 months ago
- Force fields in various formats☆26Updated last year
- ☆69Updated last year
- Python implementation of Dynamical Network Analysis☆15Updated 2 months ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆71Updated 3 weeks ago
- ☆56Updated 2 years ago
- Force Fields☆66Updated 9 months ago
- Trusted force field files for gromacs☆61Updated 11 months ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆67Updated last year
- ☆63Updated last week
- Statistical models for biomolecular dynamics☆38Updated 5 months ago
- A repository containing the build steps for the ccpbiosim workshop on QM/MM☆67Updated 2 weeks ago
- Modeling with limited data☆59Updated 3 months ago
- ☆34Updated last year
- ☆20Updated 3 months ago
- Describe and apply transformation on molecular structures and topologies☆126Updated this week
- PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.☆156Updated 7 months ago
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆90Updated 9 months ago
- Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)☆32Updated last year
- Material from papers from KULL centre☆71Updated last year
- ☆18Updated 6 months ago
- Interactive molecular dynamics based model building into low-resolution crystallographic and cryo-EM maps☆39Updated 2 months ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆160Updated 2 months ago
- Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation☆130Updated 2 years ago
- The public versio☆67Updated 2 years ago
- Analysis of non-covalent interactions in MD trajectories☆63Updated 9 months ago
- OpenMM plugin to interface with PLUMED☆69Updated 8 months ago