Alternatives and similar repositories for ensembler:

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

• jchodera / statmech-for-biochemists
  A primer on statistical mechanics for biochemists
  ☆46Updated 2 years ago
• makson96 / Dynamics
  Dynamics PyMOL Plugin
  ☆42Updated last year
• Eigenstate / dabble
  Membrane protein builder and parameterizer
  ☆18Updated 7 months ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆64Updated 5 years ago
• speleo3 / pymol-psico
  Pymol ScrIpt COllection (PSICO)
  ☆59Updated 8 months ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆53Updated this week
• msmbuilder / msmexplorer
  Data visualizations for biomolecular dynamics
  ☆18Updated 6 years ago
• zhenglz / dockingML
  A package for MD, Docking and Machine learning drug discovery pipeline
  ☆43Updated 4 years ago
• MobleyLab / blues
  Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling
  ☆33Updated last week
• samplchallenges / SAMPL6
  Challenge inputs, details, and results for the SAMPL6 series of challenges
  ☆53Updated 3 years ago
• insilichem / pychimera
  Use UCSF Chimera Python API in a standard interpreter
  ☆58Updated 6 years ago
• Faezov / PDBrenum
  ☆28Updated 11 months ago
• ldomic / lintools
  Python script that creates 2D protein-ligand interaction images
  ☆14Updated 6 years ago
• pstansfeld / MemProtMD
  ☆38Updated 2 weeks ago
• bowman-lab / enspara
  Modeling molecular ensembles with scalable data structures and parallel computing
  ☆34Updated 2 months ago
• ELELAB / pyinteraph
  A software research tool for the analysis of structural communication in protein ensembles
  ☆13Updated 3 years ago
• PDBeurope / pdbecif
  A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"
  ☆37Updated last year
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆63Updated 5 months ago
• MobleyLab / Training
  Lab policies, training, style guides, etc.
  ☆35Updated last year
• dseeliger / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆60Updated 4 years ago
• MobleyLab / benchmarksets
  Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards
  ☆43Updated 3 years ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆19Updated 4 years ago
• mmtsb / toolset
  MMTSB Tool Set
  ☆31Updated 5 months ago
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆82Updated 4 years ago
• CCBatIIT / AlGDock
  Molecular docking with Alchemical Interaction Grids
  ☆28Updated 3 weeks ago
• cxhernandez / ipymol
  Control PyMOL sessions via IPython
  ☆58Updated 2 years ago
• MobleyLab / SolvationToolkit
  In-house tools for setting up arbitrary solute-solvent mixtures for simulation in GROMACS, Amber, OpenMM or other codes
  ☆32Updated 4 years ago
• choderalab / openmoltools
  An open set of tools for automating tasks relating to small molecules
  ☆65Updated 3 years ago
• npschafer / openawsem
  An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM
  ☆36Updated 8 months ago