intbio / gmx_protocolsLinks
Protocols for running MD simulations in Gromacs
☆10Updated last year
Alternatives and similar repositories for gmx_protocols
Users that are interested in gmx_protocols are comparing it to the libraries listed below
Sorting:
- Collection of Python scripts to setup and run simulations with OpenMM☆17Updated 5 years ago
- A Python package to calculate, visualize and analyze correlation maps of proteins.☆43Updated 3 months ago
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 6 years ago
- parKVFinder-win: thread-level parallel KVFinder for Windows☆10Updated last year
- parKVFinder: thread-level parallel KVFinder☆15Updated 7 months ago
- MMTSB Tool Set☆32Updated last month
- The code for the QuickVina homepage.☆36Updated 3 years ago
- Trusted force field files for gromacs☆65Updated last year
- Computational Chemistry Workflows☆56Updated 3 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
- Analysis of contacts in molecular dynamics trajectories☆45Updated 6 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated last month
- Fully automated high-throughput MD pipeline☆86Updated last week
- A collections of scripts for working molecular dynamics simulations☆44Updated 4 months ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆63Updated last week
- ☆28Updated 7 months ago
- Analysis of non-covalent interactions in MD trajectories☆66Updated 11 months ago
- Open-source online virtual screening tools for large databases☆34Updated last week
- Assessing the impact of mutations on antibody-antigen binding affinity☆17Updated 5 years ago
- ☆14Updated 5 months ago
- Tool suite for analysing molecular dynamics trajectories using network analysis and PRS☆52Updated 7 months ago
- Parallelized Open Babel & Autodock suite Pipeline☆24Updated 7 years ago
- RF-Score-VS binary☆31Updated 7 years ago
- PCA and normal mode analysis of proteins☆19Updated last year
- some scripts for analysis of MD and CADD. And some tutorials.☆61Updated last year
- Contact map analysis for biomolecules; based on MDTraj☆47Updated last year
- Scores for Hydrophobicity and Charges based on SASAs☆40Updated 6 months ago
- calculating RMSD between 2 conformers with different atom names☆14Updated 4 years ago
- For the purpose of post progressing of MD carried by gromacs☆22Updated 5 months ago
- ☆32Updated 8 months ago