Deploy Prometheus monitoring system
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Mar 6, 2023 - Jinja
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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.
Here are 896 public repositories matching this topic...
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
blender proteins structural-biology pdb protein-data-bank protein-structure visualisation molecule molecular-dynamics molecular-graphics protein biochemistry molecular blender-addon molecular-modeling sciart protein-visualization geometry-nodes
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Dec 20, 2024 - Python
Python package for graph neural networks in chemistry and biology
bioinformatics deep-learning cheminformatics molecule drug-discovery geometric-deep-learning graph-neural-networks dgl
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Nov 1, 2023 - Python
Working with molecular structures in pandas DataFrames
bioinformatics pdb molecular-structures pandas-dataframe protein-structure molecule computational-biology drug-discovery molecules mol2 pdb-files
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Aug 1, 2024 - Python
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
chemistry cheminformatics physics molecule thermodynamics chemical-engineering mechanical-engineering viscosity density heat-capacity thermal-conductivity surface-tension combustion environmental-engineering solubility vapor-pressure equation-of-state process-simulation
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Dec 20, 2024 - Python
Platform for analytics and monitoring
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May 31, 2023 - Jinja
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
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Dec 23, 2024 - Python
[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models
awesome molecule survey computational-chemistry drug-discovery transfer-learning gnns finetuning self-supervised-learning graph-representation-learning molecular-representation-learning drug-discovery-and-development chemical-language-models
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Jun 17, 2023
Provision basic metrics exporter for prometheus monitoring tool
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Mar 6, 2023 - Python
Molecular Processing Made Easy.
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Jun 10, 2024 - Python
vscode/vscodium extension for providing Ansible auto-completion and integrating quality assurance tools like ansible-lint, ansible syntax check, yamllint, molecule and ansible-test.
hack molecule vscode-extension hacktoberfest ansible-lint lsp taskfile ansible-language-server ansible-dev-tools
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Dec 25, 2024 - TypeScript
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
molecule computational-biology computational-chemistry conformation iclr generative-models graph-neural-networks diffusion-models score-matching iclr2022
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May 17, 2023 - Python
Docker Engine clustering using "Swarm Mode" and Ansible
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Apr 11, 2022 - Python
Scientific Large Language Models: A Survey on Biological & Chemical Domains
genome text molecule survey protein cell science-research multimodal large-language-models llms sci-llm scientific-languages
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Jul 24, 2024
[ICLR 2024] Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models
science natural-language-processing resource instructions molecule dataset protein generation llama datasets biomedical instruction instruction-following large-language-models ai-for-science mol-instruction iclr2024
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Oct 28, 2024 - Python
Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
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Nov 4, 2023 - Python
A Javascript cheminformatics toolkit.
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Dec 20, 2024 - JavaScript
Geometric Latent Diffusion Models for 3D Molecule Generation
molecule drug-discovery geometric-deep-learning deep-generative-model diffusion-models molecule-generation icml-2023
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Jun 9, 2023 - Python
MoleculeKit: Your favorite molecule manipulation kit
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Dec 19, 2024 - Python
Created by John Dewey
Released February 21, 2017
Latest release 20 days ago
- Followers
- 28 followers
- Repository
- ansible/molecule
- Website
- molecule.readthedocs.io
- Wikipedia
- Wikipedia