npschafer / openawsemLinks
An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM
☆38Updated 7 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 7 months ago
- ☆47Updated last month
- ☆80Updated 2 months ago
- Associative memory, Water mediated, Structure and Energy Model (AWSEM) protein simulation code☆41Updated 2 weeks ago
- ☆34Updated 2 years ago
- Material from papers from KULL centre☆71Updated last year
- Modelling of Large Protein Complexes☆39Updated 4 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆30Updated last month
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆63Updated last week
- Calculation of interatomic interactions in molecular structures☆115Updated last year
- Analysis of non-covalent interactions in MD trajectories☆66Updated 11 months ago
- Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space☆29Updated last week
- ☆69Updated last year
- Fast, accurate, and deterministic protein side-chain packing☆36Updated 10 months ago
- Trusted force field files for gromacs☆65Updated last year
- Contact map analysis for biomolecules; based on MDTraj☆47Updated last year
- An open-source library for the analysis of protein interactions.☆33Updated 4 years ago
- A fast and simple Molecular Dynamics tutorial using GROMACS and PACKMOL.☆37Updated 2 years ago
- Universal framework for physically based computational protein design☆35Updated 2 years ago
- Python interface for the RCSB PDB search API.☆65Updated 9 months ago
- Molecular Dynamics for Experimentalists☆65Updated last month
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆23Updated last year
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆47Updated last year
- FreeSASA Python Module☆58Updated 4 months ago
- Tools to build coarse grained models and perform simulations with OpenMM☆25Updated 3 years ago
- Modeling with limited data☆59Updated 2 weeks ago
- mdml: Deep Learning for Molecular Simulations☆48Updated 7 months ago
- A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2☆98Updated 2 years ago
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆28Updated 4 months ago
- ☆52Updated 2 weeks ago