Alternatives and similar repositories for pytram

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

• choderalab / torsionfit
  Bayesian tools for fitting molecular mechanics torsion parameters to quantum chemical data.
  ☆21Updated 3 years ago
• markovmodel / msmtools
  Tools for estimating and analyzing Markov state models
  ☆42Updated 2 years ago
• bio-phys / PyDHAMed
  Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations
  ☆20Updated 7 years ago
• openmm / openmmexampleplugin
  An example of how to write a plugin for OpenMM
  ☆31Updated last year
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated 11 months ago
• markovmodel / mdshare
  Get access to our MD data files.
  ☆29Updated last year
• jhenin / qwrap
  Fast PBC wrapping and unwrapping for VMD
  ☆23Updated 8 months ago
• markovmodel / thermotools
  Winter is coming...
  ☆12Updated 6 years ago
• openmm / openmm-plumed
  OpenMM plugin to interface with PLUMED
  ☆68Updated 5 months ago
• ymatsunaga / mdtoolbox
  MDToolbox: A MATLAB/Octave toolbox for statistical analysis of molecular dynamics trajectories
  ☆25Updated 5 years ago
• MDAnalysis / MDAnalysis.github.io
  MDAnalysis home page mdanalysis.org as GitHub pages.
  ☆15Updated 2 weeks ago
• MobleyLab / basic_simulation_training
  A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …
  ☆115Updated 6 years ago
• michellab / Sire
  Sire Molecular Simulations Framework
  ☆96Updated 2 years ago
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆56Updated last month
• radakb / pynamd
  Python Tools for NAMD
  ☆21Updated 3 months ago
• noinil / genesis_cg_tool
  Prepare topology and coordinate file for CG models in Genesis.
  ☆11Updated last month
• openforcefield / smirnoff99Frosst
  A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format
  ☆29Updated 11 months ago
• openforcefield / openff-evaluator
  A physical property evaluation toolkit from the Open Forcefield Consortium.
  ☆56Updated this week
• BrooksResearchGroup-UM / FastMBAR
  A fast solver for large scale MBAR/UWHAM equations
  ☆39Updated 11 months ago
• OpenFreeEnergy / cinnabar
  Package for consistent reporting of relative free energy results
  ☆39Updated last month
• openmm / openmm-xtb
  OpenMM plugin to interface with XTB
  ☆16Updated 6 months ago
• markovmodel / adaptivemd
  A python framework to run adaptive Markov state model (MSM) simulation on HPC resources
  ☆18Updated last week
• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆75Updated this week
• tiwarylab / SGOOP
  Spectral Gap Optimization of Parameters
  ☆18Updated 5 years ago
• rinikerlab / Ensembler
  Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…
  ☆53Updated last year
• MDAnalysis / pytng
  Python bindings for TNG file format
  ☆13Updated 9 months ago
• selimsami / qforce
  ☆60Updated last month
• lpwgroup / torsiondrive
  Dihedral scanner with wavefront propagation
  ☆34Updated 3 months ago
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆112Updated 2 months ago
• FATSLiM / fatslim
  Main code repository for FATSLiM
  ☆21Updated 3 years ago