#Molecule
Showing 50 of 50 repositories tagged #molecule, ranked by stars
Deploy Prometheus monitoring system
Web-based molecule sketcher
Python package for graph neural networks in chemistry and biology
Platform for analytics and monitoring
Provision basic metrics exporter for prometheus monitoring tool
Docker Engine clustering using "Swarm Mode" and Ansible
MoleculeKit: Your favorite molecule manipulation kit
grafana.grafana Ansible collection provides modules and roles for managing various resources on Grafana Cloud and roles to manage and deploy Grafana Agent and Grafana
Prepare your system to be managed by Ansible.
An interactive structure/property explorer for materials and molecules
LLM for Drug Editing, ICLR 2024
Installing and configuring Telegraf via Ansible for RedHat/Debian/Ubuntu/Windows/Suse.
🚧 Moved to molecule-plugins
Deploy Prometheus Alertmanager service
Ansible role for installing and configuring Apache Kafka on RedHat and Debian platforms.
Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
VSCode Extension for interactively visualising protein structure data in the editor
Example project showing how to test Ansible roles with Molecule using Testinfra and a multiscenario approach with Docker, Vagrant & AWS EC2 as infrastructure providers
Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing
A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".
Ansible role for installing and configuring Apache ZooKeeper
Install and configure fail2ban on your system.
Ubuntu 22.04 LTS (Jammy Jellyfish) Docker container for Ansible playbook and role testing.
This is an example from the Ansible 101 livestream
The tox-ansible plugin dynamically creates a full matrix of python interpreter and ansible-core version environments for running integration, sanity, and unit for an ansible collection both locally and in a Github action. tox virtual environments are leveraged for collection building, collection installation, dependency installation, and testing.
Install and configure dns on your system.
Blackbox prober exporter
Docker images with systemd support.
GitHub Action for running molecule as part of your workflows!
Install and configure logrotate on your system.
A development environment for Java, Python and Node.js built using Vagrant
The purpose of this role is to add users and groups on your system.
Install and configure openvpn server or client on your system.
🚧 Migrated inside molecule-plugins
Install updates on your system.
A widget to visualize and edit atomic structures in Jupyter Notebook
Install and configure tomcat on your system.
Ansible HAproxy role for Unified OpenStack Installer and others.
Install Hashicorp Vault, either a package or a binary.
Install and configure rsyslog on your system.
🎉 An Ansible playbook that provisions your network with software from GitHub Awesome lists, developed with disaster recovery in mind ⛽🔥🤤 🐴
Molecule LibVirt Provider
Jupyter Widgets to interact with molecular datasets.
Ansible playbooks for deploying ACS
Code for InstructBioMol, implementing the Nature Machine Intelligence paper "Advancing Biomolecular Understanding and Design Following Human Instructions".
Ansible Development Kit (roles development)
A molecule driver for Hetzner Cloud
Example ansible role for multiple OS with Windows support :blush:. Can be tested in molecule.
Install and configure GitLab on your system.
Install and configure rundeck on your system.