Alternatives and similar repositories for gmx_protocols

Users that are interested in gmx_protocols are comparing it to the libraries listed below

• JoaoRodrigues / openmm_scripts
  Collection of Python scripts to setup and run simulations with OpenMM
  ☆17Updated 5 years ago
• HITS-MBM / conan
  Analysis of contacts in molecular dynamics trajectories
  ☆45Updated 6 years ago
• AaronFeller / p2smi
  ☆28Updated last month
• williamdlees / AmberUtils
  Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods
  ☆19Updated 6 years ago
• LBC-LNBio / parKVFinder
  parKVFinder: thread-level parallel KVFinder
  ☆15Updated 9 months ago
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆36Updated 3 years ago
• CBDD / pyMDmix
  ☆14Updated 7 months ago
• 0ut0fcontrol / isoRMSD
  calculating RMSD between 2 conformers with different atom names
  ☆14Updated 5 years ago
• Hoecker-Lab / protlego
  Automated construction of protein chimeras and their analysis.
  ☆15Updated 2 years ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆36Updated last month
• IFMlab / ChemFlow
  Computational Chemistry Workflows
  ☆56Updated 3 years ago
• mmtsb / toolset
  MMTSB Tool Set
  ☆33Updated 2 weeks ago
• dkoes / md-scripts
  A collections of scripts for working molecular dynamics simulations
  ☆45Updated 6 months ago
• LBC-LNBio / parKVFinder-win
  parKVFinder-win: thread-level parallel KVFinder for Windows
  ☆10Updated last year
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆41Updated 7 months ago
• bigginlab / WaterDock_pymol
  pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)
  ☆11Updated last year
• oddt / rfscorevs_binary
  RF-Score-VS binary
  ☆31Updated 7 years ago
• RUBi-ZA / MODE-TASK
  PCA and normal mode analysis of proteins
  ☆20Updated last year
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆88Updated last week
• RUBi-ZA / MD-TASK
  Tool suite for analysing molecular dynamics trajectories using network analysis and PRS
  ☆53Updated 8 months ago
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆64Updated last month
• intbio / gromacs_ff
  Trusted force field files for gromacs
  ☆68Updated last year
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆34Updated 2 years ago
• tekpinar / correlationplus
  A Python package to calculate, visualize and analyze correlation maps of proteins.
  ☆44Updated 5 months ago
• chengwang88 / deltavina
  DeltaVina scoring function
  ☆42Updated 8 years ago
• inpacdb / POAP
  Parallelized Open Babel & Autodock suite Pipeline
  ☆24Updated 7 years ago
• dwhswenson / contact_map
  Contact map analysis for biomolecules; based on MDTraj
  ☆48Updated 2 weeks ago
• CharlesHahn / DuIvy
  some scripts for analysis of MD and CADD. And some tutorials.
  ☆61Updated last year
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆66Updated last year
• HuiLiuCode / MDBuilder
  model builder for molecular dynamics simulations
  ☆16Updated 2 years ago