Alternatives and similar repositories for MDMS

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

• zhenglz / dockingML
  A package for MD, Docking and Machine learning drug discovery pipeline
  ☆44Updated 5 years ago
• dwhswenson / contact_map
  Contact map analysis for biomolecules; based on MDTraj
  ☆46Updated 9 months ago
• VirtualFlow / VFU
  Streamlined version of VirtualFlow combining both VFVS and VFLP
  ☆20Updated 2 years ago
• XiaohuaZhangLLNL / VinaLC
  A parallel molecular docking program based on AutoDock Vina
  ☆19Updated last week
• iwatobipen / chemo_info
  ☆31Updated 5 months ago
• Muzatheking12 / MzDOCK
  MzDOCK - An Automated GUI based pipeline for Molecular Docking
  ☆20Updated last month
• RUBi-ZA / MODE-TASK
  PCA and normal mode analysis of proteins
  ☆18Updated last year
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆35Updated 2 years ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆58Updated this week
• daenuprobst / theia
  ☆19Updated last year
• makson96 / Dynamics
  Dynamics PyMOL Plugin
  ☆45Updated last year
• mmtsb / toolset
  MMTSB Tool Set
  ☆32Updated last month
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆20Updated 4 years ago
• AlzbetaTuerkova / Drug-Repurposing-in-KNIME
  An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
  ☆15Updated 5 years ago
• MooersLab / pymolshortcuts
  The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…
  ☆82Updated 3 weeks ago
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆61Updated 3 weeks ago
• HITS-MBM / conan
  Analysis of contacts in molecular dynamics trajectories
  ☆43Updated 5 years ago
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• Valdes-Tresanco-MS / AMDock
  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆71Updated 2 years ago
• pnnl / darkchem
  ☆32Updated 9 months ago
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆37Updated last month
• tlemmin / glycosylator
  Framework for the rapid modeling glycans and glycoproteins.
  ☆31Updated 2 years ago
• sarisabban / Notes
  Personal Notes
  ☆23Updated 2 months ago
• wolberlab / pyrod
  PyRod - Tracing water molecules in molecular dynamics simulations
  ☆50Updated 4 years ago
• UAMCAntwerpen / LEADD
  Lamarckian Evolutionary Algorithm for de novo Drug Design
  ☆27Updated 2 years ago
• hocinebib / PisaPy
  Python code to automatically interact with PDBePISA web server
  ☆11Updated 3 years ago
• williamdlees / AmberUtils
  Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods
  ☆19Updated 5 years ago
• michal-brylinski / efindsite
  Ligand binding site prediction and virtual screening
  ☆12Updated 6 years ago
• Accio / AMIDD
  Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)
  ☆32Updated last week
• mokarrom / mpi-vina
  An MPI based parallel implementation of Autodock Vina
  ☆16Updated 5 years ago