Alternatives and similar repositories for statmech-for-biochemists

Users that are interested in statmech-for-biochemists are comparing it to the libraries listed below

• choderalab / ensembler
  Automated omics-scale protein modeling and simulation setup.
  ☆53Updated 3 years ago
• MobleyLab / basic_simulation_training
  A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …
  ☆114Updated 6 years ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆54Updated this week
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆85Updated 4 years ago
• bowman-lab / enspara
  Modeling molecular ensembles with scalable data structures and parallel computing
  ☆35Updated this week
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated 9 months ago
• MobleyLab / blues
  Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling
  ☆33Updated 3 weeks ago
• MobleyLab / benchmarksets
  Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards
  ☆42Updated 3 years ago
• samplchallenges / SAMPL6
  Challenge inputs, details, and results for the SAMPL6 series of challenges
  ☆54Updated 3 years ago
• choderalab / openmoltools
  An open set of tools for automating tasks relating to small molecules
  ☆65Updated 3 years ago
• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆73Updated this week
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆95Updated 9 months ago
• MobleyLab / Training
  Lab policies, training, style guides, etc.
  ☆35Updated last year
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆63Updated 5 years ago
• dseeliger / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆62Updated 4 years ago
• speleo3 / pymol-psico
  Pymol ScrIpt COllection (PSICO)
  ☆59Updated 10 months ago
• KULL-Centre / CALVADOS
  ☆62Updated last week
• mms-fcul / PypKa
  A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
  ☆60Updated last year
• cxhernandez / ipymol
  Control PyMOL sessions via IPython
  ☆58Updated 2 years ago
• MobleyLab / GuthrieSolv
  Experimental small molecule hydration free energy dataset
  ☆30Updated 3 years ago
• LoLab-MSM / PyBILT
  Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.
  ☆25Updated 4 years ago
• nglviewer / mdsrv
  MD trajectory server
  ☆34Updated last year
• Becksteinlab / propkatraj
  pKa estimates for proteins using an ensemble approach
  ☆28Updated 7 months ago
• maccallumlab / meld
  Modeling with limited data
  ☆57Updated 6 months ago
• kassonlab / gmxapi
  (outdated) fork of https://gitlab.com/gromacs/gromacs
  ☆53Updated 2 years ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆40Updated 8 years ago
• makson96 / Dynamics
  Dynamics PyMOL Plugin
  ☆43Updated last year
• openforcefield / smarty
  Chemical perception tree automated exploration tool.
  ☆19Updated 6 years ago
• samirelanduk / atomium
  Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)
  ☆105Updated last year
• Eigenstate / dabble
  Membrane protein builder and parameterizer
  ☆19Updated 9 months ago