PySB v1.9.0 Released

New Features

  • MultiState capability, which enables a single Monomer site to be specified with multiple states (documentation) (#410)
  • ScipyOdeSimulator multiprocessing capability, using n_processors argument (documentation) (#395)
  • Multi-GPU simulations and chunking support (split large simulation sets into GPU-sized blocks) for CupSodaSimulator (#409)
  • Sensitivity analysis class can now work for model parameter sweeps, in addition to initial conditions (documentation) (#426)
  • Support for fixed concentration species (#364)
  • Initial condition and parameter sets can now be supplied to Simulator instances as Pandas DataFrames (#416)
  • Drug binding macro pysb.macros.drug_binding() (documentation) (#387)
  • Support BngSimulator early stopping using stop_if kwarg (example: sim.run(stop_if='ObsA>9')) (#407)
  • BioNetGen importer improvements, including preserving parameter depdendencies in expressions, the MoveConnected keyword, and Observables' species compartments (#406)

Improvements

  • ScipyOdeSimulator is now faster when using Cython due to customized compiler directives (#403)
  • When model components experience a validation error on creation, they're no longer added to the model by the SelfExporter (#431)
  • Use the system PATH variable to help find external tools like BioNetGen or Kappa (#389)
  • SBML Exporter: preserve parameter dependency in initial conditions (#417) and specify initial concentrations for all species (#420)
  • BioNetGen importer now allows relative paths (#432)
  • StochKit log file contents are now included in error messages (#429)
  • Clearer error messages when Cython is non-functional on Windows (#402)

Bug fixes

  • Corrections to the PySB tutorial (#422)
  • Fix number of simulations calculation for NFsim (#445)
  • Fix cupSODA when using models with non-alphanumeric characters (#404)
  • Fix Exception when calling expand_obs() on observables which match no species (#418)
  • Fix for model name being changed in unit test (#399)
  • Fix Model.update_initial_condition_pattern (#446)
  • Minor packaging fixes (#396, #411, #433)
  • Minor code tidy-ups (#405, #436)
  • Documentation build fixes (#424, #444)

Deprecations

  • ScipyOdeSimulator's theano backend (#428)

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