sosnicklab / upside2-mdLinks
☆26Updated 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☆47Updated 6 months ago
- Coarse-grained molecular dynamics for protein physics. NOTE: this has been superseded by Upside 2: https://github.com/sosnicklab/upside2-…☆25Updated 3 years ago
- ☆69Updated last year
- ☆80Updated 2 months ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆72Updated this week
- ☆59Updated 3 weeks ago
- Force fields in various formats☆26Updated last year
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆89Updated 5 months ago
- Force Fields☆66Updated 11 months ago
- Trusted force field files for gromacs☆65Updated last year
- Generate intrinsically disordered peptide conformations via machine learning☆24Updated last year
- ☆19Updated 8 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆30Updated last month
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆59Updated last month
- Interactive molecular dynamics based model building into low-resolution crystallographic and cryo-EM maps☆40Updated 4 months ago
- ☆34Updated last year
- Simple protein-ligand complex simulation with OpenMM☆91Updated 2 years ago
- The public versio☆75Updated 2 years ago
- Modeling with limited data☆60Updated 2 weeks ago
- Fast, accurate, and deterministic protein side-chain packing☆36Updated 10 months ago
- Statistical models for biomolecular dynamics☆40Updated 7 months ago
- Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation☆134Updated 2 years ago
- Calculation of interatomic interactions in molecular structures☆116Updated last year
- Material from papers from KULL centre☆71Updated last year
- ☆32Updated 2 years ago
- ☆47Updated last month
- ☆20Updated 5 months ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆166Updated 4 months ago
- ☆63Updated 2 months ago
- An open-source platform for developing protein models beyond AlphaFold.☆12Updated 5 months ago