Pymbar

Latest version: v4.0.3

Safety actively analyzes 687767 Python packages for vulnerabilities to keep your Python projects secure.

Scan your dependencies

Page 2 of 3

3.0.7

What's Changed
* Fix 427 : Add BAR compute overlap method by jchodera in https://github.com/choderalab/pymbar/pull/430
* Add warning about unstable API by mikemhenry in https://github.com/choderalab/pymbar/pull/432


**Full Changelog**: https://github.com/choderalab/pymbar/compare/3.0.6...3.0.7

3.0.6

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://github.com/choderalab/pymbar/pull/404
* bdice made their first contribution in https://github.com/choderalab/pymbar/pull/418
* maxentile made their first contribution in https://github.com/choderalab/pymbar/pull/425
* mikemhenry made their first contribution in https://github.com/choderalab/pymbar/pull/426

**Full Changelog**: https://github.com/choderalab/pymbar/compare/3.0.5...3.0.6

3.0.5

In adding support for python 3.8 and scipy 1.0, pymbar 3.0.4 accidentally changed the API for key components to a new experimental API in which `dict` objects were returned for convenience.

This release restores the previous API behavior in pymbar 3.0.0-3.0.3, but allows the new API to be accessed via the optional keyword argument `return_dict=True` (via PR https://github.com/choderalab/pymbar/pull/319). Without this keyword, the old API is used.

We will consider making the `dict` API the default in pymbar 4, but we will plan to add warnings of the API change well in advance of this change.

Apologies to all our users who were affected by this issue!

3.0.4

This release brings in all the changes from the last months and makes PyMBAR compatible with Python 3.8 and Scipy 1.0.

3.0.3

This release fixes a subtle but important issue caused by missing file when PyPi Tarball was compiled from Python 3, but then downloaded in Python 2

Because this changes the `setup.py` file, this formal release was cut.

3.0.2

Page 2 of 3

© 2024 Safety CLI Cybersecurity Inc. All Rights Reserved.