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An open API service indexing awesome lists of open source software.
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.
- GitHub: https://github.com/topics/molecule
- Wikipedia: https://en.wikipedia.org/wiki/Ansible_(software)
- Repo: https://github.com/ansible/molecule
- Created by: John Dewey
- Released: February 21, 2017
- Last updated: 2024-12-17 00:19:24 UTC
- JSON Representation
https://github.com/adrienc21/ccsd
Combinatorial Complex Score-based Diffusion model using stochastic differential equations
artificial-intelligence ccsd combinatorial-complex deep-learning diffusion diffusion-models graph graph-neural-networks higher-order-models machine-learning molecule molecule-generation python score-based-generative-modeling score-based-generative-models tdl topological-data-analysis topological-deep-learning topological-neural-networks topology
Last synced: 09 Oct 2024
https://github.com/streamlit/streamlit-ketcher
Chemical molecule custom component for Streamlit apps
cheminformatics chemistry editor molecule
Last synced: 07 Oct 2024
https://github.com/retr0h/molecule-k3d
Molecule K3D Driver allows Molecule users to test Ansible code using K3D.
ansible k3d k8s kubernetes molecule molecule-driver testing
Last synced: 06 Dec 2024
https://github.com/robertdebock/ansible-role-update_pip_packages
Find and update pip packages.
ansible molecule pip playbook security tox update updatepippackages
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-harbor
Install and configure harbor on your system.
ansible development harbor molecule playbook tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-logwatch
Install and configure logwatch on your system.
ansible logwatch molecule monitoring playbook tox
Last synced: 10 Nov 2024
https://github.com/seonghwanseo/molvoxel
Easy-to-Use Molecular Voxelization Tool
3d-image bioinformatics chemistry molecule protein-ligand-complex protein-structure python representation voxelization voxelizer
Last synced: 11 Nov 2024
https://github.com/robertdebock/ansible-role-auto_update
Install and configure automatic package updates on your system.
ansible autoupdate molecule playbook security system tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-epel
Install epel on your system.
ansible epel installer molecule packages playbook repository tox
Last synced: 10 Nov 2024
https://github.com/wayofdev/ansible-role-tpl
Ansible template for wayofdev roles.
ansible ansible-molecule ansible-role ansible-role-skeleton automation linux macos molecule
Last synced: 25 Nov 2024
https://github.com/ansible-community/molecule-azure
🚧 Assimilated into molecule-plugins
ansible hacktoberfest molecule molecule-driver
Last synced: 26 Sep 2024
https://github.com/robertdebock/ansible-role-sysstat
Install, start and enable sysstat on your system.
ansible molecule monitoring playbook security sysstat system tox
Last synced: 10 Nov 2024
https://github.com/abelcarreras/symgroup
Continuous symmetry measures of molecular structures
chemistry csm molecule symmetry
Last synced: 25 Oct 2024
https://github.com/robertdebock/ansible-role-jenkins
Install and configure jenkins on your system.
ansible development jenkins molecule playbook server system tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-zabbix_repository
Install and configure zabbix_repository on your system.
ansible molecule monitoring playbook repository tox zabbix
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-zabbix_web
Install and configure zabbix_web on your system.
ansible molecule monitoring playbook tox web zabbix
Last synced: 10 Nov 2024
https://github.com/fatimasajadi/chemozart
Web-based 3D molecule editor and visualizer with molecular mechanics calculators.
Last synced: 27 Oct 2024
https://github.com/pycontribs/pys
Repository used to pre-build python enabled images for popular operating systems
Last synced: 13 Nov 2024
https://github.com/retr0h/molecule-kind
Molecule Kind Driver allows Molecule users to test Ansible code using Kind.
ansible k8s kind kubernetes molecule molecule-driver testing
Last synced: 06 Dec 2024
https://github.com/professormanhattan/ansible-homebrew
👉 Installs Homebrew (a package management system) on macOS and Linux systems 😉
ansible automated brew debian doctor fedora homebrew install installdoc installdoctor linux macos mblabs megabytelabs molecule professormanhattan role ubuntu washingtondc windows
Last synced: 03 Dec 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
belka binding bio chemistry drug-discovery fingerprint graph-neural-network kaggle leash masked-language-modeling molecule pretraining protein-ligand-interactions qsar self-supervised-learning smiles-strings
Last synced: 09 Oct 2024
https://github.com/radi0sus/xyzoverlay
Python 3 script for overlaying or superimposing two or more molecules. The overlayed / superimposed molecules can be displayed and the modified coordinates can be saved as xyz files. Coloring by atom or molecule is possible.
computational-chemistry coordinates coordination-chemistry dft inorganic-chemistry kabsch kabsch-algorithm molecule molecule-viewer molecule-visualization molecules overlay superposition xyz-files xyz-reader
Last synced: 05 Dec 2024
https://github.com/robertdebock/ansible-role-zabbix_proxy
Install and configure zabbix-proxy on your system.
ansible molecule monitoring networking playbook proxy tox zabbix
Last synced: 10 Nov 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.
chemical chemical-engineering compound contribution engineering excess fragmentation functional gibbs group groups grupal joback molecule properties pure python thermodynamics unifac
Last synced: 09 Oct 2024
https://github.com/robertdebock/ansible-role-ca
Install and configure a certificate authority on your system.
ansible authority ca certificate molecule openssl playbook security tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-tailscale
Install and configure tailscale on your system.
ansible molecule network networking playbook security tailscale tox vpn
Last synced: 09 Oct 2024
https://github.com/robertdebock/ansible-role-powertools
Enable powertools repository on your system.
ansible molecule playbook powertools tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-dhcpd
Install and configure dhcpd on your system.
ansible dhcp dhcpd iscdhcpserver molecule network networking playbook server system tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-virtualbox
Install and configure virtualbox on your system.
ansible molecule playbook system tox virtualbox
Last synced: 10 Nov 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
cheminformatics drug-design drug-discovery molecule problem-solving smiles
Last synced: 09 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/robertdebock/ansible-role-alternatives
Set alternatives
alternatives ansible molecule playbook system tox
Last synced: 10 Nov 2024
https://github.com/ills-montreal/emir
When is an Embedding Model More Promising than Another?, NeurIPS'24
embedders information-theory molecule nlp representation-learning
Last synced: 06 Nov 2024
https://github.com/josiehong/3dmolcsp
[Analytical Chemistry] Enhanced Structure-Based Prediction of Chiral Stationary Phases for Chromatographic Enantioseparation from 3D Molecular Conformations
analytical-chemistry chromatography molecule
Last synced: 09 Oct 2024
https://github.com/robertdebock/ansible-role-scripts
Place scripts on your system.
ansible application cloud database development infrastructure linux molecule monitoring networking playbook scripts security storage system tools tox windows
Last synced: 09 Oct 2024
https://github.com/dkratzert/dsr
Refinement of disordered structures with SHELXL
crystallography database dsr fragments molecule python shelxl
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/thomasjewson/molecular3dlengthdescriptors
A 3D conformational based molecular descriptor set for use in QSPR and Machine Learning.
3d cheminformatics chemistry conformer crystallography descriptor learning machine molecule rdkit
Last synced: 09 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-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/jugatsu/ansible-role-pritunl-server
Ansible Role for Pritunl Server (https://pritunl.com)
ansible ansible-role inspec molecule pritunl vpn-server
Last synced: 06 Nov 2024
https://github.com/robertdebock/ansible-role-tigervnc
Install and configure tigervnc on your system.
ansible molecule networking playbook tigervnc tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-vagrant
Install vagrant on your system.
ansible development molecule playbook tox vagrant
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-revealmd
Install and configure revealmd on your system.
ansible development git html markdown molecule nodejs npm playbook presentation revealmd slides tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-investigate
Install and configure investigation tools on your system.
ansible investigate molecule playbook security tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-cntlm
Install and configure cntlm on your system.
ansible cntlm installer molecule networking package playbook proxy tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-molecule
Install Molecule on your system.
ansible development molecule playbook tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-vault_initialize
Initialize and unseal HashiCorp Vault.
ansible molecule playbook security tox vaultinitialize
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-filesystem
Make filesystems.
ansible filesystem molecule playbook system tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-code
Install visual studio code on your system.
ansible code development molecule playbook tox
Last synced: 10 Nov 2024
https://github.com/professormanhattan/ansible-rust
Installs Rust on nearly any platform
ansible doctor fedora install installdoc installdoctor language macos mblabs megabytelabs modern molecule packages professormanhattan programming role rust ubuntu washingtondc windows
Last synced: 03 Dec 2024
https://github.com/chao1224/graphcg
Unsupervised Discovery of Steerable Factors When Graph Deep Generative Models Are Entangled, TMLR 2024
contrastive-learning controllable-generation editing function-group-editing graph lead-optimization molecular-graph molecule point-clouds shape-editing
Last synced: 01 Nov 2024
https://github.com/robertdebock/ansible-role-powertop
Install powertop on your system and optimize at boot.
ansible molecule monitoring playbook powertop tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-gitea
Install gitea on your system.
ansible application development gitea molecule playbook tools tox
Last synced: 10 Nov 2024
https://github.com/simongravelle/gallery
Molecular art
atom bash digital-art fullerene graphene gromacs lammps molecular-dynamics-simulation molecule vmd wallpaper
Last synced: 13 Oct 2024
https://github.com/robertdebock/ansible-role-sosreport
Install, run and collect sosreports from your systems.
ansible molecule monitoring playbook sosreport tox
Last synced: 10 Nov 2024
https://github.com/zjunlp/kano
[Nature Machine Intelligence 2023] Knowledge Graph-enhanced Molecular Contrastive Learning with Functional Prompt
contrastive-learning knowledge-graph knowledge-informed-prompt-learning molecule nature-machine-intelligence prompt prompt-learning
Last synced: 26 Sep 2024
https://github.com/chem4word/version3-3
Version 2024 (3.3) of Chem4Word - A Chemistry Add-In for Microsoft Word
addin cheminformatics chemistry microsoft-office microsoft-word molecule openxml openxml-sdk openxml-word structure
Last synced: 29 Nov 2024
https://github.com/professormanhattan/ansible-java
Installs Java on almost any platform
ansible development install installdoc installdoctor java jdk macos mblabs megabytelabs molecule openjdk oracle professormanhattan role system ubuntu washingtondc web windows
Last synced: 13 Oct 2024
https://github.com/robertdebock/ansible-role-obsproject
Install obsproject on your system.
ansible molecule obsproject playbook tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-apt_repository
Manage apt repositor(y|ies).
ansible apt molecule playbook repository security system tox
Last synced: 10 Nov 2024
https://github.com/robertdebock/ansible-role-awx_configuration
Configure AWX.
ansible awxconfiguration molecule playbook tox
Last synced: 10 Nov 2024
https://github.com/matt-ramotar/paging
📄 A paging library for large-scale Kotlin apps. Powered by Store, Molecule, and Compose Runtime.
compose-runtime kotlin-multiplatform molecule paging store
Last synced: 09 Oct 2024
https://github.com/lszeremeta/molstruct
Convert chemical molecule data CSV files to structured data formats
bioschemas cheminformatics chemoinformatics csv docker-image json-ld microdata molecularentity molecule molecule-data molecules rdfa schema schema-org schemaorg
Last synced: 23 Dec 2024
https://github.com/buluma/ansible-role-bootstrap
Prepare your system to be managed by Ansible.
ansible-role bootstrap molecule playbook tox
Last synced: 11 Nov 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.
argvaet bioinformatics foundation-model generative-ai generative-pretraining gnn molecule neural-network pretraining pytorch rdkit
Last synced: 09 Oct 2024
https://github.com/robertdebock/ansible-role-spamassassin
Install and configure spamassassin on your system.
ansible installer molecule package playbook security spamassassin tox
Last synced: 10 Nov 2024
https://github.com/buluma/ansible-role-openssh
Install and configure openssh on your system.
ansible ansible-role molecule openssh playbook tox
Last synced: 11 Nov 2024
https://github.com/systemli/ansible-role-spamassassin
Ansible role to install & maintain spamassassin
ansible ansible-role debian molecule monit spamassassin
Last synced: 10 Nov 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
