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
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆54Updated this week
• samplchallenges / SAMPL6
  Challenge inputs, details, and results for the SAMPL6 series of challenges
  ☆54Updated 3 years ago
• MobleyLab / blues
  Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling
  ☆33Updated 3 weeks ago
• speleo3 / pymol-psico
  Pymol ScrIpt COllection (PSICO)
  ☆59Updated 10 months ago
• bowman-lab / enspara
  Modeling molecular ensembles with scalable data structures and parallel computing
  ☆35Updated this week
• makson96 / Dynamics
  Dynamics PyMOL Plugin
  ☆43Updated last year
• choderalab / openmoltools
  An open set of tools for automating tasks relating to small molecules
  ☆65Updated 3 years ago
• zhenglz / dockingML
  A package for MD, Docking and Machine learning drug discovery pipeline
  ☆44Updated 4 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆63Updated 5 years ago
• msmbuilder / msmexplorer
  Data visualizations for biomolecular dynamics
  ☆18Updated 6 years ago
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆69Updated 6 months ago
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆85Updated 4 years ago
• insilichem / pychimera
  Use UCSF Chimera Python API in a standard interpreter
  ☆58Updated 6 years ago
• openforcefield / smarty
  Chemical perception tree automated exploration tool.
  ☆19Updated 6 years ago
• Eigenstate / dabble
  Membrane protein builder and parameterizer
  ☆19Updated 9 months ago
• mdtraj / nma
  Normal Mode Analysis for Macromolecules
  ☆17Updated 8 years ago
• Becksteinlab / propkatraj
  pKa estimates for proteins using an ensemble approach
  ☆28Updated 7 months ago
• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆73Updated this week
• mmtsb / toolset
  MMTSB Tool Set
  ☆31Updated 2 weeks ago
• MobleyLab / benchmarksets
  Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards
  ☆42Updated 3 years ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• nglviewer / mdsrv
  MD trajectory server
  ☆34Updated last year
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆33Updated last year
• pstansfeld / MemProtMD
  ☆40Updated 3 weeks ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆95Updated 9 months ago
• dseeliger / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆62Updated 4 years ago
• PatWalters / metk
  Model Evaluation Toolkit
  ☆27Updated 6 years ago
• GPCRviz / flareplot
  Visualization tool for changing networks
  ☆19Updated 7 years ago
• PDBeurope / pdbecif
  A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"
  ☆37Updated last year