What's Changed Fixes sanity check for empty bins in computePMF by @tuckerburgin in https://github.com/choderalab/pymbar/pull/324 Change anaconda channel from omnia to conda-forge by @chrisjonesBSU in https://github.com/choderalab/pymbar/pull/404 Update README installation instructions from -c omnia to -c conda-forge. by @bdice in https://github.com/choderalab/pymbar/pull/418 Forward maximum_iterations from MBAR constructor by @maxentile in https://github.com/choderalab/pymbar/pull/425 Removed travis CI config file by @mikemhenry in https://github.com/choderalab/pymbar/pull/426 New Contributors @tuckerburgin made their first contribution in https://github.com/choderalab/pymbar/pull/324 @chrisjonesBSU made their first contribution in https...
What's Changed Major Changes Bump PyTensor to 2.9.1 by @michaelosthege in https://github.com/pymc-...
What's Changed manually casting objects to np arrays when reading checkpoint by @ijpulidos in https...
This release fixes a subtle but important issue caused by missing file when PyPi Tarball was compile...
What's Changed Fix #427 : Add BAR compute overlap method by @jchodera in https://github.com/chodera...
What's Changed Do not use removed numpy.bool by @mattwthompson in https://github.com/choderalab/pym...
Breaking Changes Ahead! This pymbar release has several API changes and some exciting new features (...
What's New We now support computation of bootstrapped uncertainties for MBAR free energies -- just s...
Breaking Changes Ahead! This pymbar release has several API changes and some exciting new features (...
What's Changed Catch LennardJonesGenerator made NB functions. by @Lnaden in https://github.com/chod...
Cut a release to bring in Numpy 1.12 changes and Python 3.6 support for deployment
In adding support for python 3.8 and scipy 1.0, pymbar 3.0.4 accidentally changed the API for key co...
This release fixes several bugs and eliminates cython compiled acceleration of replica-exchange all-...
What's Changed Stop uploading coverage reports on nightly CI runs by @mikemhenry in https://github....
What's Changed New Features Derive logprob of operations by @shreyas3156 in https://github.com/py...
What's Changed New Features Logprob derivation for Min of continuous IID variables by @Dhruvanshu-...
What's Changed Major Changes Bump PyTensor to 2.9.1 by @michaelosthege in https://github.com/pymc-...
What's Changed manually casting objects to np arrays when reading checkpoint by @ijpulidos in https...
This release fixes a subtle but important issue caused by missing file when PyPi Tarball was compile...
What's Changed Fix #427 : Add BAR compute overlap method by @jchodera in https://github.com/chodera...
What's Changed Do not use removed numpy.bool by @mattwthompson in https://github.com/choderalab/pym...
Breaking Changes Ahead! This pymbar release has several API changes and some exciting new features (...
What's New We now support computation of bootstrapped uncertainties for MBAR free energies -- just s...
Breaking Changes Ahead! This pymbar release has several API changes and some exciting new features (...
What's Changed Catch LennardJonesGenerator made NB functions. by @Lnaden in https://github.com/chod...
Cut a release to bring in Numpy 1.12 changes and Python 3.6 support for deployment
In adding support for python 3.8 and scipy 1.0, pymbar 3.0.4 accidentally changed the API for key co...
This release fixes several bugs and eliminates cython compiled acceleration of replica-exchange all-...
What's Changed Stop uploading coverage reports on nightly CI runs by @mikemhenry in https://github....
What's Changed New Features Derive logprob of operations by @shreyas3156 in https://github.com/py...
What's Changed New Features Logprob derivation for Min of continuous IID variables by @Dhruvanshu-...
What's Changed Major Changes Bump PyTensor to 2.9.1 by @michaelosthege in https://github.com/pymc-...
What's Changed manually casting objects to np arrays when reading checkpoint by @ijpulidos in https...
This release fixes a subtle but important issue caused by missing file when PyPi Tarball was compile...