Alternatives and similar repositories for Gromacs

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

• mokarrom / mpi-vina
  An MPI based parallel implementation of Autodock Vina
  ☆16Updated 5 years ago
• iwatobipen / chemo_info
  ☆32Updated 7 months ago
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆36Updated 3 years ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆76Updated 8 months ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆28Updated 3 years ago
• 0ut0fcontrol / isoRMSD
  calculating RMSD between 2 conformers with different atom names
  ☆14Updated 4 years ago
• LBC-LNBio / parKVFinder-win
  parKVFinder-win: thread-level parallel KVFinder for Windows
  ☆10Updated last year
• inpacdb / POAP
  Parallelized Open Babel & Autodock suite Pipeline
  ☆24Updated 7 years ago
• liyigerry / gmx
  molecular dynamics simulation and analysis. 分子动力学模拟和分析。
  ☆41Updated 6 years ago
• HITS-MBM / conan
  Analysis of contacts in molecular dynamics trajectories
  ☆44Updated 6 years ago
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆34Updated last year
• whymin / HOB
  Machine learning model for predicting Human Oral Bioavailability
  ☆14Updated 3 years ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 7 years ago
• AspirinCode / protein-science
  A collection of useful tutorials for Protein Science
  ☆18Updated 10 years ago
• dwhswenson / contact_map
  Contact map analysis for biomolecules; based on MDTraj
  ☆46Updated 11 months ago
• haddocking / binding-affinity-benchmark
  Protein-protein binding affinity benchmark
  ☆16Updated 9 months ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆52Updated 3 years ago
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆25Updated 3 years ago
• chengwang88 / deltavina
  DeltaVina scoring function
  ☆42Updated 8 years ago
• JoaoRodrigues / openmm_scripts
  Collection of Python scripts to setup and run simulations with OpenMM
  ☆17Updated 5 years ago
• haddocking / fcc
  Fraction of Common Contacts Clustering Algorithm for Protein Structures
  ☆27Updated 4 years ago
• dkoes / pharmit
  Open-source online virtual screening tools for large databases
  ☆34Updated 2 weeks ago
• williamdlees / AmberUtils
  Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods
  ☆19Updated 6 years ago
• UnixJunkie / smi2sdf3d
  3D diverse conformers generation using rdkit
  ☆23Updated 3 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆75Updated last year
• ci-lab-cz / easydock
  Fully automated docking pipeline (can be run in distributed environments)
  ☆53Updated this week
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆79Updated last year
• LBC-LNBio / parKVFinder
  parKVFinder: thread-level parallel KVFinder
  ☆15Updated 7 months ago
• dkoes / show_contacts
  PyMOL Plugin for displaying polar contacts
  ☆18Updated 6 years ago
• Muzatheking12 / MzDOCK
  MzDOCK - An Automated GUI based pipeline for Molecular Docking
  ☆23Updated 3 months ago