Skip to main content
.. raw:: html

<embed>
<p align="center">
<img width="300" src="https://github.com/yngtodd/molecules/blob/master/img/molecules.png">
</p>
</embed>

--------------------------

.. image:: https://badge.fury.io/py/molecules.png
:target: http://badge.fury.io/py/molecules

.. highlight:: shell

=========
Molecules
=========

Machine learning for molecular dynamics.

Documentation
--------------

For references, tutorials, and examples check out our `documentation`_.

Installation
------------

From Sources:

You can either clone the public repository:

.. code-block:: console

git clone git://github.com/yngtodd/molecules

Or download the `tarball`_:

.. code-block:: console

curl -OL https://github.com/yngtodd/molecules/tarball/master

Once you have a copy of the source, you can install it with:

.. code-block:: console

python setup.py install


.. _tarball: https://github.com/yngtodd/molecules/tarball/master
.. _documentation: https://molecules.readthedocs.io/en/latest



Documentation
-------------

The full documentation is at http://molecules.rtfd.org.



History
-------

0.0.1 (2018-10-3)
++++++++++++++++++

* First release on PyPI.

Metadata

Release files for molecules 0.0.3.2

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for molecules 0.0.3.2
File Size Uploaded Provenance Actions
molecules-0.0.3.2.tar.gz 11.7 kB Without provenance Details for molecules-0.0.3.2.tar.gz

Release files / molecules-0.0.3.2.tar.gz

Download URL molecules-0.0.3.2.tar.gz
Size 11.7 kB
Tags Source
SHA-256 checksum
How to use checksums
cf734453b8d0730bb781e54f3f7c2de7c052f27efa8c967de92bca112782ef02
BLAKE2b-256 checksum
How to use checksums
cebe6ed7ca02e9e6d8d3931259c4eb922e2f654bb6ca92ee23aed2fac8b07b92
Upload date
Uploaded using Trusted Publishing?
What is trusted publishing?
No
Uploaded via Python-urllib/3.6

Security for molecules 0.0.3.2

Provenance

Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.

No provenance found

None of the files in this release were uploaded with provenance metadata.

A note on package security

PyPI is a repository for distributing packages, not a service for auditing them. While third-party security researchers and our staff do their best to detect and remove malicious packages, PyPI cannot guarantee the quality, security or suitability of any given package.

To learn more about protecting yourself from malicious actors, visit our package security documentation.

Anthropic, PBC Visionary sponsor Bloomberg Visionary sponsor Hudson River Trading Visionary sponsor Meta Visionary sponsor NVIDIA Visionary sponsor Microsoft Sustainability sponsor Depot Continuous Integration AWS Cloud computing and Security Sponsor Datadog Monitoring Fastly CDN Google Download Analytics Sentry Error logging StatusPage Status page