There are 28 repositories under molecule topic.
Deploy Prometheus monitoring system
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
Python package for graph neural networks in chemistry and biology
Provision basic metrics exporter for prometheus monitoring tool
Platform for analytics and monitoring
[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models
Molecular Processing Made Easy.
vscode/vscodium extension for providing Ansible auto-completion and integrating quality assurance tools like ansible-lint, ansible syntax check, yamllint, molecule and ansible-test.
Worship your favorite molecule by setting it as your wallpaper.
Docker Engine clustering using "Swarm Mode" and Ansible
A Javascript cheminformatics toolkit.
Prepare your system to be managed by Ansible.
MoleculeKit: Your favorite molecule manipulation kit
[ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)
Graph-based molecule modeling toolkit for cheminformatics
[ICLR 2024] Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models
🚧 Moved to molecule-plugins
Deploy Prometheus Alertmanager service
Installing and configuring Telegraf via Ansible for RedHat/Debian/Ubuntu/Windows/Suse.
Python module for drawing and rendering beautiful atoms and molecules using Blender.
🧪📈 🐍. The purpose of the panel-chemistry project is to make it really easy for you to do DATA ANALYSIS and build powerful DATA AND VIZ APPLICATIONS within the domain of Chemistry using using Python and HoloViz Panel.
Robust Molecular Structure Recognition with Image-to-Graph Generation
Ansible role for installing and configuring Apache Kafka on RedHat and Debian platforms.
An interactive structure/property explorer for materials and molecules
Scientific Large Language Models: A Survey on Biological & Chemical Domains