Molecule | Ecosyste.ms: Awesome

https://github.com/alfresco/alfresco-ansible-deployment

Ansible playbooks for deploying ACS

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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/cloudalchemy/ansible-coredns

Ansible provisioning of CoreDNS

coredns molecule tox

Last synced: 09 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/ansible-community/molecule-hetznercloud

A molecule driver for Hetzner Cloud

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Last synced: 09 Oct 2024

https://github.com/opensmock/molecule

Molecule is a Pharo component framework.

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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 ⛽🔥🤤 🐴

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Last synced: 10 Oct 2024

https://github.com/OpenSmock/Molecule

Molecule is a Pharo component framework.

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Last synced: 03 Aug 2024

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

Install and configure rundeck on your system.

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Last synced: 09 Oct 2024

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

Please switch to pytest-ansible

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Last synced: 26 Sep 2024

https://github.com/sgsaenger/vipster

Visualization and editing of periodic molecular structure files.

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Last synced: 09 Oct 2024

https://github.com/augus1999/mol2chemfigpy3

The python 3 version of mol2chemfig package. 🛠️pip install mol2chemfigPy3

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Last synced: 11 Oct 2024

https://github.com/xiaoruidong/rdmc

Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.

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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.

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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/evrardjp/ansible-tinc

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

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Last synced: 13 Oct 2024

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

Molecule OpenStack Driver

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Last synced: 27 Sep 2024

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

Ansible role to install & maintain cryptpad

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Last synced: 04 Nov 2024

https://github.com/futianfan/CORE

CORE: Automatic Molecule Optimization using Copy & Refine Strategy (AAAI 2020)

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Last synced: 08 Aug 2024

https://github.com/superstar54/blase

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

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Last synced: 23 Oct 2024

https://github.com/ferchault/apdft

APDFT calculates quantumchemical results for many molecules at once.

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Last synced: 09 Oct 2024

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

Install and configure java on your system.

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Last synced: 13 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)

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Last synced: 27 Oct 2024

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

Configure sysctl on your system.

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Last synced: 01 Aug 2024

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

Molecule Inspec Verifier Plugin

ansible molecule molecule-plugin

Last synced: 26 Sep 2024

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

❗️Migrated into molecule-plugins

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Last synced: 26 Sep 2024

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

Molecule Goss Verifier

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Last synced: 26 Sep 2024

https://github.com/dkratzert/shelxfile

A parser and editor for SHELXL files.

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Last synced: 27 Oct 2024

https://github.com/rhythmictech/ansible-role-molecule-demo

A Hello-World Ansible role to demonstrate the power of Molecule

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Last synced: 13 Oct 2024

https://github.com/andreygubarev/molecule-qemu

Molecule QEMU driver for testing Ansible roles

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Last synced: 09 Oct 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/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)

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Last synced: 27 Oct 2024

https://github.com/zakodium-oss/react-ocl

React components integrating OpenChemLib

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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.

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Last synced: 04 Aug 2024

https://github.com/justinmc/parse-pdb

A small utility for parsing PDB files into useable JSON

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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.

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Last synced: 09 Oct 2024

https://github.com/adrienc21/ccsd

Combinatorial Complex Score-based Diffusion model using stochastic differential equations

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Last synced: 09 Oct 2024

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

Maintain your system by cleaning up.

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Last synced: 01 Aug 2024

https://github.com/retr0h/molecule-k3d

Molecule K3D Driver allows Molecule users to test Ansible code using K3D.

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Last synced: 11 Oct 2024

https://github.com/4surix/atomion

Manipuler des concepts physiques/chimiques (atomes, ions, équations, ...) facilement.

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Last synced: 09 Oct 2024

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

🚧 Assimilated into molecule-plugins

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Last synced: 26 Sep 2024

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

Install and configure harbor on your system.

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Last synced: 04 Aug 2024

https://github.com/abelcarreras/symgroup

Continuous symmetry measures of molecular structures

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Last synced: 25 Oct 2024

https://github.com/streamlit/streamlit-ketcher

Chemical molecule custom component for Streamlit apps

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Last synced: 07 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

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Last synced: 09 Oct 2024

https://github.com/fatimasajadi/chemozart

Web-based 3D molecule editor and visualizer with molecular mechanics calculators.

chemistry molecule

Last synced: 27 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/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

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Last synced: 09 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.

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Last synced: 09 Oct 2024

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

Install and configure tailscale on your system.

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Last synced: 09 Oct 2024

https://github.com/retr0h/molecule-kind

Molecule Kind Driver allows Molecule users to test Ansible code using Kind.

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Last synced: 11 Oct 2024

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

molecule-digitalocean

ansible molecule molecule-driver

Last synced: 26 Sep 2024

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

Place scripts on your system.

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Last synced: 09 Oct 2024

https://github.com/thomasjewson/molecular3dlengthdescriptors

A 3D conformational based molecular descriptor set for use in QSPR and Machine Learning.

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Last synced: 09 Oct 2024

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

Install visual studio code on your system.

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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/josiehong/3dmolcsp

[Analytical Chemistry] Enhanced Structure-Based Prediction of Chiral Stationary Phases for Chromatographic Enantioseparation from 3D Molecular Conformations

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Last synced: 09 Oct 2024

https://github.com/dkratzert/dsr

Refinement of disordered structures with SHELXL

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Last synced: 27 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/chao1224/graphcg

Unsupervised Discovery of Steerable Factors When Graph Deep Generative Models Are Entangled, TMLR 2024

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Last synced: 01 Nov 2024

https://github.com/nomeyho/molecular-formula-parser

Molecular formula parser for Java

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Last synced: 01 Nov 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/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.

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Last synced: 09 Oct 2024

https://github.com/matt-ramotar/paging

📄 A paging library for large-scale Kotlin apps. Powered by Store, Molecule, and Compose Runtime.

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Last synced: 09 Oct 2024

https://github.com/zjunlp/kano

[Nature Machine Intelligence 2023] Knowledge Graph-enhanced Molecular Contrastive Learning with Functional Prompt

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Last synced: 26 Sep 2024

https://github.com/simongravelle/gallery

Molecular art

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Last synced: 13 Oct 2024

https://github.com/professormanhattan/ansible-java

Installs Java on almost any platform

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Last synced: 13 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/justin-p/ansible-role-gophish

A Ansible role that deploys the https://github.com/gophish/gophish/ application.

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Last synced: 11 Oct 2024

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

Install and configure vsftpd on your system.

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Last synced: 09 Oct 2024

https://github.com/superstar54/weas

WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.

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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/robertdebock/ansible-role-terraform_agent

Install and configure Terraform Agent (for TFC or TFE) on your system.

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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/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/monolithprojects/docker-systemd-centos8

Systemd enabled CentOS8 docker image with pre-created ansible user

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Last synced: 13 Oct 2024

https://github.com/darkwizard242/docker-ansible

Ansible pre-installed docker images to support for molecule and other requirements.

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Last synced: 27 Oct 2024

https://github.com/flaudisio/ansible-role-molecule-ec2-manager

Ansible role for managing Molecule EC2 instances.

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Last synced: 13 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/jobcespedes/pg_cluster

Ansible role for a database cluster using Postgres (11), Pgpool2 (4.0) and Debian (10).

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Last synced: 11 Oct 2024

https://github.com/decentldotland/molecule-ext-1

An extension for MEM's molecule library

decentland mem molecule

Last synced: 01 Nov 2024

https://github.com/penguinowl/molecules

A game about molecules, mainly developed to demonstrate OOP at its finest.

game molecule ruby

Last synced: 26 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.

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Last synced: 09 Oct 2024

https://github.com/hspaans/molecule-containers

Containers for Molecule

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Last synced: 22 Oct 2024

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

Install and configure [Bareos](https://www.bareos.com/) Director.

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Last synced: 01 Nov 2024

https://gitlab.com/megabyte-labs/ansible-roles/java

Installs Java on almost any platform

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Last synced: 13 Oct 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