Alternatives and similar repositories for PyWATER

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

• ldomic / lintools
  Python script that creates 2D protein-ligand interaction images
  ☆14Updated 7 years ago
• RUBi-ZA / MODE-TASK
  PCA and normal mode analysis of proteins
  ☆19Updated last year
• vanderkamp / enlighten2
  Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems
  ☆21Updated 4 years ago
• ADplugin / ADplugin
  Autodock/Vina plugin for PyMol by Daniel Seeliger
  ☆28Updated 8 years ago
• williamdlees / AmberUtils
  Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods
  ☆19Updated 6 years ago
• Degiacomi-Lab / JabberDock
  protein docking using a density-based descriptor for atoms charge and dynamics
  ☆14Updated 3 years ago
• dkoes / show_contacts
  PyMOL Plugin for displaying polar contacts
  ☆18Updated 6 years ago
• makson96 / Dynamics
  Dynamics PyMOL Plugin
  ☆47Updated last year
• iwatobipen / chemo_info
  ☆32Updated 8 months ago
• DLab / RIP-MD
  ☆15Updated 7 years ago
• mmtsb / toolset
  MMTSB Tool Set
  ☆32Updated last month
• intbio / gmx_protocols
  Protocols for running MD simulations in Gromacs
  ☆10Updated last year
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆34Updated 2 years ago
• inpacdb / POAP
  Parallelized Open Babel & Autodock suite Pipeline
  ☆24Updated 7 years ago
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆36Updated 3 years ago
• JoaoRodrigues / openmm_scripts
  Collection of Python scripts to setup and run simulations with OpenMM
  ☆17Updated 5 years ago
• michal-brylinski / efindsite
  Ligand binding site prediction and virtual screening
  ☆12Updated 7 years ago
• Hoecker-Lab / protlego
  Automated construction of protein chimeras and their analysis.
  ☆15Updated 2 years ago
• sarisabban / Notes
  Personal Notes
  ☆23Updated 5 months ago
• xchem / fragalysis-package
  A repo for analysis of ensembles of protein-ligand complexes
  ☆30Updated 11 months ago
• XiaohuaZhangLLNL / VinaLC
  A parallel molecular docking program based on AutoDock Vina
  ☆19Updated 3 months ago
• NRGlab / ENCoM
  Elastic Network Contact Model (coarse-grained Normal Mode Analysis software)
  ☆14Updated 8 years ago
• CBDD / pyMDmix
  ☆14Updated 5 months ago
• mokarrom / mpi-vina
  An MPI based parallel implementation of Autodock Vina
  ☆17Updated 5 years ago
• insilichem / gaudi
  GaudiMM: A modular optimization platform for molecular design
  ☆32Updated last year
• bigginlab / WaterDock_pymol
  pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)
  ☆11Updated last year
• dwhswenson / contact_map
  Contact map analysis for biomolecules; based on MDTraj
  ☆47Updated last year
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆63Updated last week
• jr-marchand / caviar
  // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
  ☆45Updated 2 years ago
• delemottelab / allosteric-pathways
  Building and analyzing residue interaction networks with cofactors (includes tutorial).
  ☆17Updated 4 years ago