Alternatives and similar repositories for GMXAnalysis:

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

• keisuke-yanagisawa / exprorer_msmd
  MSMD (mixed-solvent molecular dynamics) engine and analysis tools
  ☆17Updated this week
• harry-maan / gmx_qk
  ☆21Updated last month
• ld139 / ApoDock_public
  Code for ApoDock
  ☆17Updated 3 weeks ago
• AspirinCode / protein-science
  A collection of useful tutorials for Protein Science
  ☆17Updated 9 years ago
• genki-kudo / Pocket-to-Concavity
  Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres
  ☆14Updated 3 months ago
• molecularmodelingsection / SuMD
  Python code to run Supervised Molecular Dynamics (SuMD) simulations
  ☆13Updated 9 months ago
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆23Updated 2 years ago
• LongxingCao / pymol_scripts
  bakerlab pymol scripts
  ☆9Updated 4 years ago
• PKUGaoGroup / DSDPFlex
  DSDPFlex: Flexible-Receptor Docking with GPU Acceleration
  ☆21Updated last month
• BrooksResearchGroup-UM / FASTDock
  FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook
  ☆18Updated last year
• MiaoLab20 / pyreweighting
  ☆27Updated last year
• haddocking / fcc
  Fraction of Common Contacts Clustering Algorithm for Protein Structures
  ☆26Updated 3 years ago
• Graylab / CAPSIF
  CArbohydrate-Protein Site IdentiFier
  ☆10Updated last year
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆30Updated last month
• vmullig / ndm1_design_scripts
  Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1
  ☆16Updated 3 years ago
• bioinfkaustin / gromacs-on-colab
  Google Colab notebooks for running molecular dynamics simulations with GROMACS
  ☆28Updated last year
• quantaosun / FEP-Minus
  Academic license pre-required. While FEP Plus charge you 100,000 USD per year. Here comes the FEP-Minus, it is a Schrodinger FEP Plus ide…
  ☆20Updated 6 months ago
• HuiLiuCode / MDBuilder
  model builder for molecular dynamics simulations
  ☆13Updated last year
• Furman-Lab / PatchMAN
  ☆24Updated 5 months ago
• AspirinCode / iPPIGAN
  De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors
  ☆18Updated 2 months ago
• Hoecker-Lab / protlego
  Automated construction of protein chimeras and their analysis.
  ☆14Updated last year
• NiBoyang / AutoDock-SS
  Use AutoDock for Ligand-based Virtual Screening
  ☆20Updated 5 months ago
• masoudk / AsiteDesign
  ☆13Updated last year
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆24Updated 2 years ago
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆25Updated 3 months ago
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆29Updated 2 weeks ago
• ci-lab-cz / streamd
  Automate MD associated calculations
  ☆53Updated this week
• jacquesboitreaud / vina_docking
  Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina
  ☆22Updated 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…
  ☆34Updated 6 months ago
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆34Updated last week