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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.
- 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: 2024-11-02 00:18:53 UTC
- JSON Representation
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 Oct 2024
https://github.com/cloudalchemy/ansible-coredns
Ansible provisioning of CoreDNS
Last synced: 09 Oct 2024
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: 13 Oct 2024
https://github.com/ansible-community/molecule-hetznercloud
A molecule driver for Hetzner Cloud
ansible hetzner hetzner-cloud molecule molecule-driver
Last synced: 09 Oct 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: 09 Oct 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: 03 Aug 2024
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: 10 Oct 2024
https://github.com/ansible-community/pytest-molecule
Please switch to pytest-ansible
ansible ansible-devtools molecule pytest pytest-plugin
Last synced: 26 Sep 2024
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: 11 Oct 2024
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: 09 Oct 2024
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: 09 Oct 2024
https://github.com/lukasturcani/vabene
Make valid molecular graphs!
chemistry molecule molecule-builder
Last synced: 11 Oct 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: 14 Aug 2024
https://github.com/robertdebock/ansible-role-dsvpn
Install and configure DSVPN on your system.
ansible dsvpn molecule networking playbook tox
Last synced: 04 Aug 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: 09 Oct 2024
https://github.com/futianfan/CORE
CORE: Automatic Molecule Optimization using Copy & Refine Strategy (AAAI 2020)
drug-design drug-discovery molecule molecule-generation
Last synced: 08 Aug 2024
https://github.com/systemli/ansible-role-cryptpad
Ansible role to install & maintain cryptpad
ansible collaboration cryptpad debian molecule texteditor
Last synced: 04 Nov 2024
https://github.com/ansible-community/molecule-openstack
Molecule OpenStack Driver
ansible hacktoberfest molecule molecule-driver
Last synced: 27 Sep 2024
https://github.com/ferchault/apdft
APDFT calculates quantumchemical results for many molecules at once.
chemistry density-functional-theory molecule
Last synced: 09 Oct 2024
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: 27 Oct 2024
https://github.com/ansible-community/molecule-inspec
Molecule Inspec Verifier Plugin
ansible molecule molecule-plugin
Last synced: 26 Sep 2024
https://github.com/dkratzert/shelxfile
A parser and editor for SHELXL files.
atom crystallography editor molecule parser shelxl
Last synced: 27 Oct 2024
https://github.com/ansible-community/molecule-goss
Molecule Goss Verifier
ansible goss molecule molecule-plugin molecule-verifier python
Last synced: 26 Sep 2024
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: 13 Oct 2024
https://github.com/ansible-community/molecule-containers
❗️Migrated into molecule-plugins
ansible hacktoberfest molecule molecule-driver
Last synced: 26 Sep 2024
https://github.com/samdoran/cookiecutter-ansible-role
Cookiecutter template for creating Ansible roles. Includes tests for TravisCI using Molecule.
Last synced: 01 Nov 2024
https://github.com/andreygubarev/molecule-qemu
Molecule QEMU driver for testing Ansible roles
ansible molecule molecule-driver qemu virtualization
Last synced: 09 Oct 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: 04 Aug 2024
https://github.com/josiehong/3dmolms
[Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
Last synced: 09 Oct 2024
https://github.com/atosatto/ansible-prometheus
An Ansible role to install and configure Prometheus (https://prometheus.io)
ansible molecule monitoring prometheus
Last synced: 27 Oct 2024
https://github.com/zakodium-oss/react-ocl
React components integrating OpenChemLib
editor hacktoberfest molecule molfile reactjs smiles
Last synced: 09 Oct 2024
https://github.com/justinmc/parse-pdb
A small utility for parsing PDB files into useable JSON
json molecular-data molecule pdb
Last synced: 09 Oct 2024
https://github.com/robertdebock/ansible-role-maintenance
Maintain your system by cleaning up.
ansible maintenance molecule playbook security system tox
Last synced: 01 Aug 2024
https://github.com/adrienc21/ccsd
Combinatorial Complex Score-based Diffusion model using stochastic differential equations
artificial-intelligence ccsd combinatorial-complex deep-learning diffusion diffusion-models graph graph-neural-networks higher-order-models machine-learning molecule molecule-generation python score-based-generative-modeling score-based-generative-models tdl topological-data-analysis topological-deep-learning topological-neural-networks topology
Last synced: 09 Oct 2024
https://github.com/varungitgood/fend
A GUI based hardening tool which can remotely harden Ubuntu systems easily at the command of your fingertips with many security modules implemented.
ansible electron mantine molecule typescript
Last synced: 09 Oct 2024
https://github.com/robertdebock/ansible-role-harbor
Install and configure harbor on your system.
ansible development harbor molecule playbook tox
Last synced: 04 Aug 2024
https://github.com/abelcarreras/symgroup
Continuous symmetry measures of molecular structures
chemistry csm molecule symmetry
Last synced: 25 Oct 2024
https://github.com/ansible-community/molecule-azure
🚧 Assimilated into molecule-plugins
ansible hacktoberfest molecule molecule-driver
Last synced: 26 Sep 2024
https://github.com/streamlit/streamlit-ketcher
Chemical molecule custom component for Streamlit apps
cheminformatics chemistry editor molecule
Last synced: 07 Oct 2024
https://github.com/retr0h/molecule-k3d
Molecule K3D Driver allows Molecule users to test Ansible code using K3D.
ansible k3d k8s kubernetes molecule molecule-driver testing
Last synced: 11 Oct 2024
https://github.com/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 drug-design drug-discovery molecule problem-solving smiles
Last synced: 09 Oct 2024
https://github.com/retr0h/molecule-kind
Molecule Kind Driver allows Molecule users to test Ansible code using Kind.
ansible k8s kind kubernetes molecule molecule-driver testing
Last synced: 11 Oct 2024
https://github.com/robertdebock/ansible-role-tailscale
Install and configure tailscale on your system.
ansible molecule network networking playbook security tailscale tox vpn
Last synced: 09 Oct 2024
https://github.com/robertdebock/ansible-role-docker_compose
Install docker_compose.
ansible compose docker dockercompose molecule playbook tox
Last synced: 11 Oct 2024
https://github.com/fatimasajadi/chemozart
Web-based 3D molecule editor and visualizer with molecular mechanics calculators.
Last synced: 27 Oct 2024
https://github.com/ipqa-research/ugropy
A Python library designed to swiftly and effortlessly obtain the UNIFAC groups from molecules by their names and subsequently integrate them into inputs for thermodynamic libraries.
chemical chemical-engineering compound contribution engineering excess fragmentation functional gibbs group groups grupal joback molecule properties pure python thermodynamics unifac
Last synced: 09 Oct 2024
https://github.com/dangnh0611/kaggle_leash_belka
11th place solution of NeurIPS 2024 - Predict New Medicines with BELKA competition on Kaggle: https://www.kaggle.com/competitions/leash-BELKA
belka binding bio chemistry drug-discovery fingerprint graph-neural-network kaggle leash masked-language-modeling molecule pretraining protein-ligand-interactions qsar self-supervised-learning smiles-strings
Last synced: 09 Oct 2024
https://github.com/robertdebock/ansible-role-code
Install visual studio code on your system.
ansible code development molecule playbook tox
Last synced: 05 Nov 2024
https://github.com/robertdebock/ansible-role-cve_2024_3094
Check xz vulnerability (cve_2024_3094) on your system.
ansible cve20243094 linux molecule playbook security system tox
Last synced: 09 Oct 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: 09 Oct 2024
https://github.com/ansible-community/molecule-digitalocean
molecule-digitalocean
ansible molecule molecule-driver
Last synced: 26 Sep 2024
https://github.com/thomasjewson/molecular3dlengthdescriptors
A 3D conformational based molecular descriptor set for use in QSPR and Machine Learning.
3d cheminformatics chemistry conformer crystallography descriptor learning machine molecule rdkit
Last synced: 09 Oct 2024
https://github.com/dkratzert/dsr
Refinement of disordered structures with SHELXL
crystallography database dsr fragments molecule python shelxl
Last synced: 27 Oct 2024
https://github.com/josiehong/3dmolcsp
[Analytical Chemistry] Enhanced Structure-Based Prediction of Chiral Stationary Phases for Chromatographic Enantioseparation from 3D Molecular Conformations
analytical-chemistry chromatography molecule
Last synced: 09 Oct 2024
https://github.com/robertdebock/ansible-role-scripts
Place scripts on your system.
ansible application cloud database development infrastructure linux molecule monitoring networking playbook scripts security storage system tools tox windows
Last synced: 09 Oct 2024
https://github.com/chao1224/graphcg
Unsupervised Discovery of Steerable Factors When Graph Deep Generative Models Are Entangled, TMLR 2024
contrastive-learning controllable-generation editing function-group-editing graph lead-optimization molecular-graph molecule point-clouds shape-editing
Last synced: 01 Nov 2024
https://github.com/professormanhattan/ansible-java
Installs Java on almost any platform
ansible development install installdoc installdoctor java jdk macos mblabs megabytelabs molecule openjdk oracle professormanhattan role system ubuntu washingtondc web windows
Last synced: 13 Oct 2024
https://github.com/zjunlp/kano
[Nature Machine Intelligence 2023] Knowledge Graph-enhanced Molecular Contrastive Learning with Functional Prompt
contrastive-learning knowledge-graph knowledge-informed-prompt-learning molecule nature-machine-intelligence prompt prompt-learning
Last synced: 26 Sep 2024
https://github.com/matt-ramotar/paging
📄 A paging library for large-scale Kotlin apps. Powered by Store, Molecule, and Compose Runtime.
compose-runtime kotlin-multiplatform molecule paging store
Last synced: 09 Oct 2024
https://github.com/thomasgust/molecumixer
Very incomplete right now, pretrained ARGVAET system for generating, classifying, and predicting the properties of molecules. I couldn't upload the dataset or checkpoints due to size constraints.
argvaet bioinformatics foundation-model generative-ai generative-pretraining gnn molecule neural-network pretraining pytorch rdkit
Last synced: 09 Oct 2024
https://github.com/gotmax23/ansible-role-github_cli
Ansible role that installs Github CLI (gh).
ansible ansible-role molecule role
Last synced: 27 Oct 2024
https://github.com/simongravelle/gallery
Molecular art
atom bash digital-art fullerene graphene gromacs lammps molecular-dynamics-simulation molecule vmd wallpaper
Last synced: 13 Oct 2024
https://github.com/jharley/ansible-example-base
This Ansible role is intended to represent an automation baseline for an organization or corporation.
ansible ansible-role molecule testinfra
Last synced: 26 Oct 2024
https://github.com/justinmc/tiny-molecule
A small, developer-friendly 3D molecule viewer for the modern web
3d mmcif molecule pdb visualizer
Last synced: 27 Oct 2024
https://github.com/robertdebock/ansible-role-vsftpd
Install and configure vsftpd on your system.
ansible application cloud database development infrastructure linux molecule monitoring networking playbook security storage system tools tox vsftpd windows
Last synced: 09 Oct 2024
https://github.com/darkwizard242/docker-ansible
Ansible pre-installed docker images to support for molecule and other requirements.
ansible docker docker-ansible docker-container docker-images dockerfiles molecule
Last synced: 27 Oct 2024
https://github.com/superstar54/weas
WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.
3d crystal isosurface manipulation molecule three-js visualization
Last synced: 09 Oct 2024
https://github.com/js-ish/moltx
Molcule Transformer X Model
ai drug-discovery molecule transformer
Last synced: 09 Oct 2024
https://github.com/robertdebock/ansible-role-terraform_agent
Install and configure Terraform Agent (for TFC or TFE) on your system.
ansible application cloud infrastructure linux molecule playbook terraform terraformagent terraformcloud terraformenterprise tfc tfe tools tox
Last synced: 09 Oct 2024
https://github.com/jharley/ansible-example-appserver
This Ansible role is intended to represent a trivial web application server
ansible ansible-role molecule testinfra
Last synced: 26 Oct 2024
https://github.com/justin-p/ansible-role-gophish
A Ansible role that deploys the https://github.com/gophish/gophish/ application.
ansible ansible-role gophish hacktoberfest molecule phising
Last synced: 11 Oct 2024
https://github.com/gotmax23/ansible-role-zoom
Ansible role that installs the Zoom client on Linux.
ansible ansible-role communication desktop linux molecule role video zoom
Last synced: 27 Oct 2024
https://github.com/flaudisio/ansible-role-molecule-ec2-manager
Ansible role for managing Molecule EC2 instances.
ansible ec2 molecule molecule-ec2
Last synced: 13 Oct 2024
https://github.com/robertdebock/ansible-role-vault_agent
Install and configure HashiCorp Vault Agent on your system.
ansible application cloud database development infrastructure linux molecule monitoring networking playbook security storage system tools tox vaultagent windows
Last synced: 09 Oct 2024
https://github.com/decentldotland/molecule-ext-1
An extension for MEM's molecule library
Last synced: 01 Nov 2024
https://gitlab.com/megabyte-labs/ansible-roles/java
Installs Java on almost any platform
ansible ansible-role archlinux centos debian development doctor fedora install installdoc installdoctor java jdk macos mblabs megabytelabs molecule openjdk oracle professormanhattan role system ubuntu washingtondc web windows
Last synced: 13 Oct 2024
https://github.com/penguinowl/molecules
A game about molecules, mainly developed to demonstrate OOP at its finest.
Last synced: 26 Oct 2024
https://github.com/redlinetriad/molecule-vagrant-qemu-action
GitHub Action for running molecule using Vagrant and QEMU as part of your workflows!
github-actions hacktoberfest molecule qemu testing vagrant
Last synced: 30 Sep 2024
https://github.com/hicai-zju/kano-mindspore
MindSpore implementation for paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt"
graph-neural-networks knowledge-graph mindspore molecule pretrained-models
Last synced: 01 Nov 2024
https://github.com/jobcespedes/pg_cluster
Ansible role for a database cluster using Postgres (11), Pgpool2 (4.0) and Debian (10).
ansible ansible-role cluster database molecule pgpool2 postgres
Last synced: 11 Oct 2024
https://github.com/nextlayer-ansible/molecule-lxd
Molecule LXD allows using LXD to provision containers or virtual-machines as test resources for molecule
ansible lxd molecule molecule-driver testing-tools
Last synced: 09 Oct 2024
https://github.com/maxischuh/twinbooster
Package for TwinBooster. Enables fast and powerful zero-shot molecular property prediction.
cheminformatics chemistry large-language-models machine-learning molecular-property-prediction molecule
Last synced: 09 Oct 2024
https://github.com/linhaowei1/molretrieval
This repo implements many methods to retrieve molecules that are similar to a target molecule from a large molecule corpus.
ai4science biology computational-biology language-models molecule rag retreival retrieval-augmented-generation
Last synced: 09 Oct 2024
https://github.com/robertdebock/ansible-role-tfe
Install and configure tfe on your system.
ansible application cloud database development infrastructure linux molecule monitoring networking playbook security storage system tfe tools tox windows
Last synced: 01 Nov 2024
https://github.com/gotmax23/ansible-role-update
Ansible role that checks for and optionally installs system updates. It also has to the option to print upgradeable packages without actually upgrading them.
ansible ansible-role molecule role update upgrade
Last synced: 02 Nov 2024
https://github.com/tinaccil/fortranthermostats
Molecule thermostatistics properties code in Fortran90
chemoinformatics molecule thermodynamics
Last synced: 01 Nov 2024
https://github.com/gotmax23/ansible-role-pass
Ansible role that installs password-store (pass), the standard Unix password manager.
ansible ansible-role molecule pass password-store role
Last synced: 02 Nov 2024