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.
- GitHub: https://github.com/topics/molecule
- Wikipedia: https://en.wikipedia.org/wiki/Ansible_(software)
- Repo: https://github.com/ansible/molecule
- Created by: John Dewey
- Released: February 21, 2017
- Last updated: 2025-04-22 00:18:54 UTC
- JSON Representation
https://github.com/dj-wasabi/ansible-ossec-server
Installing and maintaining the ossec-server for RedHat/Debian/Ubuntu.
ansible-role molecule ossec ossec-server
Last synced: 08 Feb 2025
https://github.com/megabyte-labs/gas-station
🎉 An Ansible playbook that provisions your network with software from GitHub Awesome lists, developed with disaster recovery in mind ⛽🔥🤤 🐴
ansible ansible-role archlinux centos debian doctor fedora install installdoc installdoctor macos mblabs megabytelabs molecule playbook professormanhattan role ubuntu washingtondc windows
Last synced: 09 Feb 2025
https://github.com/chao1224/moleculesde
A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
conformation diffusion generation geometry group-equivariant-neural-network molecule pretraining reflection-antisymmetric representation sde stochastic-differential-equation
Last synced: 08 Feb 2025
https://github.com/yunjaechoi/vaemols
Variational Autoencoder for Molecules
molecule rdkit tensorflow variational-autoencoder
Last synced: 15 Feb 2025
https://github.com/tridentbio/trident-chemwidgets
Jupyter Widgets to interact with molecular datasets.
chemistry jupyter jupyter-notebook molecule notebook visualization
Last synced: 08 Feb 2025
https://github.com/lean-delivery/ansible-development-kit
Ansible Development Kit (roles development)
ansible ansible-roles cookiecutter development-kit molecule
Last synced: 10 Apr 2025
https://github.com/lhm30/pidginv2
PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)
cheminformatics chemoinformatics molecule pubchem random-forest target target-prediction target-predictions weight
Last synced: 08 Feb 2025
https://github.com/chao1224/Loss-Balanced-Task-Weighting
Loss-Balanced Task Weighting to Reduce Negative Transfer in Multi-Task Learning, AAAI-SA'19
molecule multi-task-learning negative-transfer transfer-learning
Last synced: 05 Apr 2025
https://github.com/alfresco/alfresco-ansible-deployment
Ansible playbooks for deploying ACS
alfresco alfresco-bdu ansible deployment hacktoberfest molecule ops-readiness-team
Last synced: 09 Apr 2025
https://github.com/cloudalchemy/ansible-coredns
Ansible provisioning of CoreDNS
Last synced: 08 Feb 2025
https://github.com/chao1224/loss-balanced-task-weighting
Loss-Balanced Task Weighting to Reduce Negative Transfer in Multi-Task Learning, AAAI-SA'19
molecule multi-task-learning negative-transfer transfer-learning
Last synced: 08 Feb 2025
https://github.com/jugatsu/ansible-role-molecule-linux-windows
Example ansible role for multiple OS with Windows support :blush:. Can be tested in molecule.
ansible ansible-roles molecule windows
Last synced: 10 Apr 2025
https://github.com/OpenSmock/Molecule
Molecule is a Pharo component framework.
architecture component components connexion corba events framework lightweigth lwccm model molecule open-smock parameters pharo pharo-smalltalk services smalltalk smock
Last synced: 17 Nov 2024
https://github.com/opensmock/molecule
Molecule is a Pharo component framework.
architecture component components connexion corba events framework lightweigth lwccm model molecule open-smock parameters pharo pharo-smalltalk services smalltalk smock
Last synced: 08 Feb 2025
https://github.com/ansible-community/molecule-hetznercloud
A molecule driver for Hetzner Cloud
ansible hetzner hetzner-cloud molecule molecule-driver
Last synced: 06 Apr 2025
https://github.com/sgsaenger/vipster
Visualization and editing of periodic molecular structure files.
atom cpmd cpp17 emscripten gui lammps molecule pwscf python quantum-espresso visualization xyz
Last synced: 10 Apr 2025
https://github.com/fragit/fragit-main
FragIt main repository
fragments mfcc molecule python
Last synced: 13 Apr 2025
https://github.com/xiaoruidong/rdmc
Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.
conformer molecule rdkit reaction
Last synced: 08 Feb 2025
https://github.com/augus1999/mol2chemfigpy3
The python 3 version of mol2chemfig package. 🛠️pip install mol2chemfigPy3
chemfig chemistry chemistry-molecule mol2chemfig molecule python3 tool
Last synced: 03 Dec 2024
https://github.com/ansible-community/pytest-molecule
Please switch to pytest-ansible
ansible ansible-devtools molecule pytest pytest-plugin
Last synced: 19 Jan 2025
https://github.com/lukasturcani/vabene
Make valid molecular graphs!
chemistry molecule molecule-builder
Last synced: 12 Feb 2025
https://github.com/chem4word/version3-2
Version 2022 (3.2) of Chem4Word - A Chemistry Add-In for Microsoft Word
addin cheminformatics chemistry csharp microsoft-office microsoft-word molecule openxml openxml-sdk structure
Last synced: 29 Nov 2024
https://github.com/superstar54/weas-widget
A widget to visualize and edit atomic structures in Jupyter Notebook
3d crystal editor jupyter-notebook molecule visualization
Last synced: 08 Feb 2025
https://github.com/marciopaiva/molecule-systemd-images
Base container images for testing using Molecule test framework
ansible docker-images molecule
Last synced: 22 Mar 2025
https://github.com/robertdebock/ansible-role-dsvpn
Install and configure DSVPN on your system.
ansible dsvpn molecule networking playbook tox
Last synced: 10 Nov 2024
https://github.com/nl2go/ansible-role-hetzner_installimage
An Ansible Role that manages the OS image installation lifecycle of Hetzner servers using Hetzner Robot API.
ansible-role hetzner hetzner-robot-api molecule
Last synced: 05 Dec 2024
https://github.com/robertdebock/ansible-role-gitlab
Install and configure GitLab on your system.
ansible development gitlab molecule playbook tox
Last synced: 10 Nov 2024
https://github.com/cloudalchemy/ansible-pushgateway
Install Prometheus pushgateway service
ansible metrics molecule prometheus prometheus-pushgateway pushgateway tox
Last synced: 19 Nov 2024
https://github.com/ipqa-research/ugropy
A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integrate them into inputs for thermodynamic libraries. UNIFAC, PSRK, and Joback models are implemented.
chemical chemical-engineering compound contribution engineering excess fragmentation functional gibbs group groups grupal joback molecule properties pure python thermodynamics unifac
Last synced: 08 Feb 2025
https://github.com/ehashman/molecule-demo
Molecule for Ansible Role Testing Demonstration for AnsibleFest 2017
ansible cowsay infrastructure-as-code integration-testing molecule testinfra
Last synced: 15 Apr 2025
https://github.com/chem4word/version3-1
Version 2020 (3.1) of Chem4Word - A Chemistry Add-In for Microsoft Word
addin cheminformatics chemistry microsoft-office microsoft-word molecule openxml openxml-sdk structure
Last synced: 29 Nov 2024
https://github.com/thunderpoot/cliptoe
Command Line Interactive Periodic Table of Elements in multiple languages
atoms-in-molecules calculator chemistry color colors colour colours command-line command-line-tool education educational golang molecular molecule periodic-elements periodic-table periodic-table-of-elements perl python telebasic
Last synced: 19 Apr 2025
https://github.com/yuyangw/imolclr
Implementation of iMolCLR: "Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast" in PyG.
deep-learning graph-neural-networks molecule pytorch pytorch-geometric self-supervised-learning
Last synced: 10 Apr 2025
https://github.com/robertdebock/ansible-role-artifactory
Install and configure artifactory on your system.
ansible artifactory development molecule playbook server tox
Last synced: 10 Nov 2024
https://github.com/systemli/ansible-role-cryptpad
Ansible role to install & maintain cryptpad
ansible collaboration cryptpad debian molecule texteditor
Last synced: 03 Apr 2025
https://github.com/simongravelle/atb2lammps
Convert files from the ATB repository to LAMMPS format
atb converter input lammps lammps-data lammps-input lammps-script molecule molecule-file python simulation
Last synced: 19 Apr 2025
https://github.com/futianfan/CORE
CORE: Automatic Molecule Optimization using Copy & Refine Strategy (AAAI 2020)
drug-design drug-discovery molecule molecule-generation
Last synced: 28 Nov 2024
https://github.com/ansible-community/molecule-openstack
Molecule OpenStack Driver
ansible hacktoberfest molecule molecule-driver
Last synced: 21 Jan 2025
https://github.com/robertdebock/ansible-role-auditd
Install and configure auditd on your system.
ansible auditd molecule monitoring playbook security system tox
Last synced: 10 Nov 2024
https://github.com/drpsychick/ansible-testing
An Ansible role that allows creating SystemD instances for testing Ansible roles against - for use with molecule
ansible ansible-role centos fedora molecule systemd testing ubuntu windows
Last synced: 15 Apr 2025
https://github.com/ferchault/apdft
APDFT calculates quantumchemical results for many molecules at once.
chemistry density-functional-theory molecule
Last synced: 08 Feb 2025
https://github.com/gantsign/molecule-wrapper
A wrapper script to make running Molecule easier
Last synced: 06 Apr 2025
https://github.com/ansible-community/molecule-inspec
Molecule Inspec Verifier Plugin
ansible molecule molecule-plugin
Last synced: 19 Jan 2025
https://github.com/robertdebock/ansible-role-haproxy
Install and configure haproxy on your system.
ansible cloud haproxy molecule networking playbook tox
Last synced: 10 Nov 2024
https://github.com/lean-delivery/ansible-molecule-drivers
Molecule drivers for cloud providers
ansible aws azure docker molecule molecule-drivers
Last synced: 10 Nov 2024
https://github.com/andreygubarev/molecule-qemu
Molecule QEMU driver for testing Ansible roles
ansible molecule molecule-driver qemu virtualization
Last synced: 08 Feb 2025
https://github.com/chao1224/sgnn-ebm
Structured Multi-task Learning for Molecular Property Prediction, AISTATS'22 (https://proceedings.mlr.press/v151/liu22e.html)
chembl chembl-string energy-based-model knowledge-graph molecule multitask-learning ppi-networks string
Last synced: 18 Mar 2025
https://github.com/ansible-community/molecule-containers
❗️Migrated into molecule-plugins
ansible hacktoberfest molecule molecule-driver
Last synced: 19 Jan 2025
https://github.com/robertdebock/ansible-role-core_dependencies
Install dependecies to support the Ansible core modules.
ansible coredependencies molecule playbook system tox
Last synced: 10 Nov 2024
https://github.com/dkratzert/shelxfile
A parser and editor for SHELXL files.
atom crystallography editor molecule parser shelxl
Last synced: 20 Mar 2025
https://github.com/ansible-community/molecule-goss
Molecule Goss Verifier
ansible goss molecule molecule-plugin molecule-verifier python
Last synced: 19 Jan 2025
https://github.com/robertdebock/ansible-role-cron
Install cron and scedule jobs on your system.
ansible cron crontab molecule playbook scheduling system tox
Last synced: 10 Nov 2024
https://github.com/samdoran/cookiecutter-ansible-role
Cookiecutter template for creating Ansible roles. Includes tests for TravisCI using Molecule.
Last synced: 15 Apr 2025
https://github.com/rhythmictech/ansible-role-molecule-demo
A Hello-World Ansible role to demonstrate the power of Molecule
ansible ansible-roles asciicast ec2 molecule molecule-demo rad vagrant
Last synced: 10 Apr 2025
https://github.com/robertdebock/ansible-role-environment
Set system-wide variables.
ansible environment molecule playbook tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-cargo
Install cargo on your system.
ansible cargo development molecule packager playbook rust tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-buildtools
Install buildtools on your system.
ansible development installer molecule packages playbook system tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-git
Install and configure git on your system.
ansible development git molecule playbook tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-gitlab_runner
Install and configure gitlab-runner on your system.
ansible development gitlabrunner molecule playbook tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-nginx
Install and configure nginx on your system.
ansible installer molecule networking nginx playbook tox web
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-certbot
Install and configure certbot on your system.
acme ansible certbot letsencrypt molecule playbook security tox
Last synced: 10 Nov 2024
https://github.com/atosatto/ansible-prometheus
An Ansible role to install and configure Prometheus (https://prometheus.io)
ansible molecule monitoring prometheus
Last synced: 18 Mar 2025
https://github.com/robertdebock/ansible-role-terraform
Install and configure terraform on your system.
ansible development molecule playbook terraform tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-cve_2021_44228
Check and report for cve_2021_44228 (log4shell) on your system.
ansible cve202144228 log4j log4shell molecule playbook security tox
Last synced: 19 Nov 2024
https://github.com/robertdebock/ansible-role-xrdp
Install and configure xrdp on your system.
ansible molecule networking playbook tox xrdp
Last synced: 10 Nov 2024
https://github.com/streamlit/streamlit-ketcher
Chemical molecule custom component for Streamlit apps
cheminformatics chemistry editor molecule
Last synced: 04 Feb 2025
https://github.com/zakodium-oss/react-ocl
React components integrating OpenChemLib
editor hacktoberfest molecule molfile reactjs smiles
Last synced: 08 Feb 2025
https://github.com/robertdebock/ansible-role-zabbix_server
Install and configure zabbix_server on your system.
ansible molecule monitoring playbook server tox zabbix
Last synced: 10 Nov 2024
https://github.com/qkrdmsghk/goodhse
[CVPR 2024] Improving out-of-distribution generalization in graphs via hierarchical semantic environments
graph molecule ood-generalization
Last synced: 08 Feb 2025
https://github.com/nl2go/ansible-role-hetzner-failover
Ansible role providing a HA setup using hetzner vSwitch and keepalived
ansible ansible-role failover-ip hetzner keepalived molecule
Last synced: 09 Jan 2025
https://github.com/justinmc/parse-pdb
A small utility for parsing PDB files into useable JSON
json molecular-data molecule pdb
Last synced: 08 Feb 2025
https://github.com/robertdebock/ansible-role-zabbix_agent
Install and configure zabbix_agent on your system.
agent ansible molecule monitoring playbook tox zabbix
Last synced: 10 Nov 2024