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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.

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: 09 Oct 2024

https://github.com/cloudalchemy/ansible-coredns

Ansible provisioning of CoreDNS

coredns molecule tox

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/robertdebock/ansible-role-vault

Install Hashicorp Vault, either a package or a binary.

ansible hashicorp molecule playbook security tox vault

Last synced: 09 Oct 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/robertdebock/ansible-role-rundeck

Install and configure rundeck on your system.

ansible molecule playbook rundeck tox

Last synced: 09 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/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/lukasturcani/vabene

Make valid molecular graphs!

chemistry molecule molecule-builder

Last synced: 11 Oct 2024

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/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-dsvpn

Install and configure DSVPN on your system.

ansible dsvpn molecule networking playbook tox

Last synced: 10 Nov 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/robertdebock/ansible-role-cis

Apply and/or check recommendations from the CIS benchmarks.

ansible cis molecule playbook security tox

Last synced: 10 Nov 2024

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: 08 Nov 2024

https://github.com/robertdebock/ansible-role-mysql

Install and configure mysql on your system.

ansible database installer mariadb molecule mysql package playbook tox

Last synced: 10 Nov 2024

https://github.com/robertdebock/ansible-role-locale

Configure locale on your system.

ansible locale molecule playbook system tox

Last synced: 10 Nov 2024

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/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/robertdebock/ansible-role-reboot

The purpose of this role is to reboot your system.

ansible molecule playbook reboot system tox

Last synced: 10 Nov 2024

https://github.com/evrardjp/ansible-tinc

Role to install tinc in a star/ring topology (w/ leaf/spine) (based on your variables)

ansible centos debian molecule openwrt tinc ubuntu vpn

Last synced: 13 Oct 2024

https://github.com/robertdebock/ansible-role-firewall

Manage firewall ports on all (known) Linux operating systems.

ansible firewall firewalld molecule playbook security server system tox

Last synced: 10 Nov 2024

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: 04 Nov 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: 28 Nov 2024

https://github.com/superstar54/blase

Python module for drawing and rendering ASE (Atomic Simulation Environment) atoms and molecules objects using blender.

ase atoms blender molecule python

Last synced: 23 Oct 2024

https://github.com/robertdebock/ansible-role-grub

Configure grub on your system.

ansible grub molecule playbook system tox

Last synced: 10 Nov 2024

https://github.com/robertdebock/ansible-role-nextcloud

Install and configure Nextcloud on your system.

ansible molecule nextcloud playbook tox

Last synced: 10 Nov 2024

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/robertdebock/ansible-role-java

Install and configure java on your system.

alternatives ansible java jdk jre molecule openjdk oracle playbook system tox

Last synced: 13 Oct 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/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/robertdebock/ansible-role-sysctl

Configure sysctl on your system.

ansible molecule playbook sysctl system tox

Last synced: 10 Nov 2024

https://github.com/gantsign/molecule-wrapper

A wrapper script to make running Molecule easier

ansible molecule

Last synced: 05 Nov 2024

https://github.com/ansible-community/molecule-inspec

Molecule Inspec Verifier Plugin

ansible molecule molecule-plugin

Last synced: 26 Sep 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/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/robertdebock/ansible-role-storage

Create partitions, volume groups, volumes, filesystems and mounts

ansible molecule playbook storage system tox

Last synced: 10 Nov 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/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/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/ansible-community/molecule-containers

❗️Migrated into molecule-plugins

ansible hacktoberfest molecule molecule-driver

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/robertdebock/ansible-role-ulimit

Configure ulimit on your system.

ansible molecule playbook system tox ulimit

Last synced: 10 Nov 2024

https://github.com/robertdebock/ansible-role-mediawiki

Install and configure mediawiki on your system.

ansible mediawiki molecule playbook server system tox

Last synced: 10 Nov 2024

https://github.com/robertdebock/ansible-role-service

Add custom services to your Linux system.

ansible molecule playbook service 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-docker_ce

Install and configure Docker CE on your system.

ansible docker dockerce molecule playbook tox

Last synced: 10 Nov 2024

https://github.com/robertdebock/ansible-role-ntp

Install and configure ntp on your system.

ansible molecule ntp ntpd ntpdate playbook system tox

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: 09 Oct 2024

https://github.com/robertdebock/ansible-role-mitogen

Install and configure mitogen on your system.

ansible cloud mitogen molecule playbook tox

Last synced: 10 Nov 2024

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: 24 Nov 2024

https://github.com/samdoran/cookiecutter-ansible-role

Cookiecutter template for creating Ansible roles. Includes tests for TravisCI using Molecule.

ansible ansible-role molecule

Last synced: 01 Nov 2024

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-common

The purpose of this role is to configure common things on your system.

ansible common hostname hosts molecule playbook server system tox

Last synced: 10 Nov 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/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-selinux

Install and configure selinux and its required libraries on your system.

ansible molecule playbook security selinux system tox

Last synced: 10 Nov 2024

https://github.com/josiehong/3dmolms

[Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations

mass-spectrometry molecule

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/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/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/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-zabbix_agent

Install and configure zabbix_agent on your system.

agent ansible molecule monitoring playbook tox zabbix

Last synced: 10 Nov 2024

https://github.com/systemli/ansible-role-mumble

Ansible role to install & maintain mumble-server

ansible ansible-role molecule mumble mumble-server murmur

Last synced: 10 Nov 2024

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/robertdebock/ansible-role-openssh

Install and configure openssh on your system.

ansible molecule openssh playbook security system tox

Last synced: 10 Nov 2024

https://github.com/robertdebock/ansible-role-postgres

Install and configure postgres on your system.

ansible molecule playbook postgres tox

Last synced: 10 Nov 2024

https://github.com/robertdebock/ansible-role-autofs

Install and configure autofs on your system.

ansible autofs molecule playbook system tox

Last synced: 10 Nov 2024

https://github.com/robertdebock/ansible-role-squid

Install and configure squid on your system

ansible molecule networking playbook proxy squid system tox

Last synced: 10 Nov 2024

https://github.com/sky-joker/molecule-instance-on-vmware-sample

Sample Playbook to create test instance of molecule on VMware environment

ansible molecule vmware

Last synced: 30 Nov 2024

https://github.com/robertdebock/ansible-role-diskspace

Check diskspace (or inodes) available, fail if too low.

ansible assert check diskspace inodes molecule playbook system tox

Last synced: 10 Nov 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-systemd

Set default target and configure systemd.

ansible molecule playbook system systemd tox

Last synced: 10 Nov 2024

https://github.com/robertdebock/ansible-role-facts

Place custom facts for Ansible on a system.

ansible facts molecule playbook tox

Last synced: 10 Nov 2024

https://github.com/robertdebock/ansible-role-npm

Install npm on your system.

ansible molecule nodejs npm playbook tox

Last synced: 10 Nov 2024

https://github.com/robertdebock/ansible-role-hostname

Install dependencies and configure the hostname on your system.

ansible hostname molecule playbook system tox

Last synced: 10 Nov 2024

https://github.com/robertdebock/ansible-role-forensics

Install and configure forensics on your system.

ansible forensics molecule playbook security system tox

Last synced: 10 Nov 2024

https://github.com/ansible-collections/community.molecule

Ansible community.molecule is a very small collection that hosts filters used by molecule playbooks.

ansible-collection ansible-devtools molecule

Last synced: 20 Nov 2024