npschafer / openawsemLinks
An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM
☆37Updated 5 months ago
Alternatives and similar repositories for openawsem
Users that are interested in openawsem are comparing it to the libraries listed below
Sorting:
- An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM☆19Updated 6 months ago
- Material from papers from KULL centre☆71Updated last year
- ☆78Updated last month
- ☆45Updated 2 weeks ago
- ☆19Updated 7 months ago
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆46Updated last year
- Associative memory, Water mediated, Structure and Energy Model (AWSEM) protein simulation code☆41Updated 6 months ago
- ☆34Updated last year
- Modelling of Large Protein Complexes☆38Updated 3 months ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆61Updated 2 months ago
- Analysis of non-covalent interactions in MD trajectories☆64Updated 10 months ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆72Updated last month
- Calculation of interatomic interactions in molecular structures☆112Updated last year
- ☆69Updated last year
- Contact map analysis for biomolecules; based on MDTraj☆46Updated 11 months ago
- Framework for the rapid modeling glycans and glycoproteins.☆31Updated 2 years ago
- An open-source library for the analysis of protein interactions.☆32Updated 3 years ago
- ☆31Updated 2 years ago
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated 6 months ago
- Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…☆49Updated 3 years ago
- Python interface for the RCSB PDB search API.☆65Updated 7 months ago
- Analysis of contacts in molecular dynamics trajectories☆44Updated 6 years ago
- A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2☆97Updated 2 years ago
- MM-PBSA method for GROMACS. For full description, please visit homepage:☆68Updated 5 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆29Updated this week
- mdml: Deep Learning for Molecular Simulations☆47Updated 6 months ago
- Protein and nucleic acid validation service☆89Updated last year
- Modeling with limited data☆59Updated 4 months ago
- Pymol ScrIpt COllection (PSICO)☆63Updated 3 months ago
- Python library to run structure based model (SBM) simulations using the OpenMM toolkit☆23Updated 3 years ago