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Molecule

Molecule is designed to aid in the development and testing of Ansible roles.

Molecule provides support for testing with multiple instances, operating systems and distributions, virtualization providers, test frameworks, and testing scenarios.

Molecule encourages an approach that results in consistently developed roles that are well-written, easily understood and maintained.

Here are 4 public repositories matching this topic...

RohanV01 / Molecule_format_converter

This jupyter notebook let's you convert sdf to pdb or SMILES to pdbqt file formats for a batch of compounds to perform cheminformatics and drug discovery projects

cheminformatics molecule drug-discovery problem-solving drug-design smiles

Updated Nov 22, 2023
Jupyter Notebook

CTzatzakis / Computational-physics

📓 Simulation exercises access point for result extraction which can be used in modeling and theoretical approach of molecular and atomic processes.

distribution molecule systems particle lattice percolation random-walk displacement random-numbers

Updated Apr 27, 2020
C++

trident-chemwidgets

tridentbio / trident-chemwidgets

Jupyter Widgets to interact with molecular datasets.

visualization jupyter chemistry notebook jupyter-notebook molecule

Updated Jun 24, 2022
CSS

superstar54 / weas-widget

A widget to visualize and edit atomic structures in Jupyter Notebook

visualization editor crystal jupyter-notebook molecule 3d

Updated Jun 12, 2024
Python

Created by John Dewey

Released February 21, 2017

Latest release 28 days ago

Followers: 28 followers
Repository: ansible/molecule
Website: molecule.readthedocs.io
Wikipedia: Wikipedia