Alternatives and similar repositories for Molecular-Dynamics

Users that are interested in Molecular-Dynamics are comparing it to the libraries listed below

• pamellaccar / gromacs_with_packmol
  A fast and simple Molecular Dynamics tutorial using GROMACS and PACKMOL.
  ☆37Updated 2 years ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆76Updated 8 months ago
• sarisabban / Notes
  Personal Notes
  ☆23Updated 4 months ago
• bioinfkaustin / gromacs-on-colab
  Google Colab notebooks for running molecular dynamics simulations with GROMACS
  ☆43Updated 2 years ago
• AspirinCode / protein-science
  A collection of useful tutorials for Protein Science
  ☆18Updated 10 years ago
• carlocamilloni / Structural-Bioinformatics
  This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the Universit…
  ☆88Updated last week
• liyigerry / gmx
  molecular dynamics simulation and analysis. 分子动力学模拟和分析。
  ☆41Updated 6 years ago
• PyMOL-Ross / Pymol-Tutorials
  ☆36Updated 4 years ago
• quantaosun / Ambertools-OpenMM-MD
  Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another not…
  ☆37Updated 7 months ago
• rochoa85 / PepFun
  Bioinformatics and Cheminformatics protocols for peptide analysis
  ☆43Updated 2 years ago
• Sbolivar16 / MolecularDocking
  Tools for molecular Docking
  ☆27Updated 4 months ago
• wells-wood-research / drMD
  Molecular Dynamics for Experimentalists
  ☆65Updated 3 weeks ago
• ullahsamee / PyMOLfold
  Plugin for folding sequences directly in PyMOL
  ☆27Updated 4 months ago
• whymin / HOB
  Machine learning model for predicting Human Oral Bioavailability
  ☆14Updated 3 years ago
• lmdu / dockey
  an integrated tool for molecular docking and virtual screening
  ☆73Updated 5 months ago
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆23Updated last year
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆34Updated last year
• Zuttergutao / GMXAnalysis
  For the purpose of post progressing of MD carried by gromacs
  ☆22Updated 5 months ago
• dkoes / show_contacts
  PyMOL Plugin for displaying polar contacts
  ☆18Updated 6 years ago
• Hoecker-Lab / protlego
  Automated construction of protein chimeras and their analysis.
  ☆15Updated 2 years ago
• mabdelmaksoud53 / Colab_NAMD_Suite
  Welcome to Colab_NAMD_suit, your gateway to running MD simulations!
  ☆17Updated last year
• abeebyekeen / CHAPERONg
  CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses
  ☆57Updated 4 months ago
• HITS-MBM / conan
  Analysis of contacts in molecular dynamics trajectories
  ☆44Updated 6 years ago
• intbio / MolModEdu
  Educational Notes on Molecular Modeling
  ☆12Updated 5 years ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆33Updated 4 years ago
• haddocking / fcc
  Fraction of Common Contacts Clustering Algorithm for Protein Structures
  ☆27Updated 4 years ago
• hocinebib / PisaPy
  Python code to automatically interact with PDBePISA web server
  ☆10Updated 3 years ago
• tony-blake / MD-Simulation
  A Generalised workflow for obtaining protein and peptide molecular structures, docking the peptide into the protein and running a molecul…
  ☆13Updated 11 months ago
• Valdes-Tresanco-MS / AMDock
  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆74Updated 2 years ago
• bbyun28 / QSAR-DrugDiscovery-with-RDkit
  ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model
  ☆14Updated 5 years ago