Deploy Prometheus monitoring system
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Updated
Mar 6, 2023 - Jinja
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.
Deploy Prometheus monitoring system
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
Python package for graph neural networks in chemistry and biology
Working with molecular structures in pandas DataFrames
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
Platform for analytics and monitoring
Provision basic metrics exporter for prometheus monitoring tool
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
[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.
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
Docker Engine clustering using "Swarm Mode" and Ansible
A Javascript cheminformatics toolkit.
Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
[ICLR 2024] Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models
[ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)
Scientific Large Language Models: A Survey on Biological & Chemical Domains
MoleculeKit: Your favorite molecule manipulation kit
Created by John Dewey
Released February 21, 2017
Latest release 10 days ago