npschafer / openawsem
An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM
☆35Updated 3 months ago
Related projects ⓘ
Alternatives and complementary repositories for openawsem
- An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM☆18Updated 6 months ago
- ☆32Updated 3 months ago
- ☆25Updated last year
- Python library to run structure based model (SBM) simulations using the OpenMM toolkit☆21Updated 2 years ago
- Tools to build coarse grained models and perform simulations with OpenMM☆20Updated last year
- ☆25Updated last year
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆13Updated this week
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆50Updated 3 weeks ago
- ☆62Updated 4 months ago
- MMTSB Tool Set☆30Updated 2 weeks ago
- ☆39Updated last year
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆41Updated 8 months ago
- ☆49Updated last year
- Calculation of interatomic interactions in molecular structures☆79Updated 2 months ago
- FreeSASA Python Module☆48Updated last year
- An open-source library for the analysis of protein interactions.☆29Updated 2 years ago
- Trusted force field files for gromacs☆40Updated 3 weeks ago
- ☆31Updated last week
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆43Updated 3 years ago
- ☆10Updated 5 months ago
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated 2 months ago
- ☆32Updated 2 months ago
- A collections of scripts for working molecular dynamics simulations☆40Updated 5 months ago
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆17Updated 3 years ago
- An OpenMM plugin that implements the Alchemical Transfer Potential☆37Updated last year
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆25Updated 4 months ago
- Analysis of non-covalent interactions in MD trajectories☆51Updated last year
- Collection of Python scripts to setup and run simulations with OpenMM☆14Updated 4 years ago
- ☆19Updated 2 months ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆63Updated last year