@@ -27,10 +27,11 @@ These containers are production ready and supported with regular updates. Contai
2727| [ docking] ( https://github.com/ccpbiosim/docking-workflow ) | [ ![ ci] ( https://github.com/ccpbiosim/docking-workflow/actions/workflows/build.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/docking-workflow/actions/workflows/build.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.docking-workflow.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/docking-workflow/pkgs/container/docking-workshop ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/docking-workflow?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/docking-workflow/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/docking-workflow?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/docking-workflow/pulls ) |
2828| [ equilibration] ( https://github.com/ccpbiosim/equilibration-workshop ) | [ ![ ci] ( https://github.com/ccpbiosim/equilibration-workshop/actions/workflows/build.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/equilibration-workshop/actions/workflows/build.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.equilibration-workshop.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/equilibration-workshop/pkgs/container/equilibration-workshop ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/equilibration-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/equilibration-workshop/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/equilibration-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/equilibration-workshop/pulls ) |
2929| [ mm-gbsa] ( https://github.com/ccpbiosim/mm-gbsa-workshop ) | [ ![ ci] ( https://github.com/ccpbiosim/mm-gbsa-workshop/actions/workflows/build.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/mm-gbsa-workshop/actions/workflows/build.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.mm-gbsa-workshop.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/mm-gbsa-workshop/pkgs/container/mm-gbsa-workshop ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/mm-gbsa-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/mm-gbsa-workshop/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/mm-gbsa-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/mm-gbsa-workshop/pulls ) |
30+ | [ openff] ( https://github.com/ccpbiosim/openff-workshop ) | [ ![ ci] ( https://github.com/ccpbiosim/openff-workshop/actions/workflows/build.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/openff-workshop/actions/workflows/build.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.openff-workshop.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/openff-workshop/pkgs/container/openff-workshop ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/openff-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/openff-workshop/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/openff-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/openff-workshop/pulls ) |
3031| [ pca] ( https://github.com/ccpbiosim/pca-workshop ) | [ ![ ci] ( https://github.com/ccpbiosim/pca-workshop/actions/workflows/build.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/pca-workshop/actions/workflows/build.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.pca-workshop.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/pca-workshop/pkgs/container/pca-workshop ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/pca-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/pca-workshop/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/pca-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/pca-workshop/pulls ) |
3132| [ pdb2pqr] ( https://github.com/ccpbiosim/pdb2pqr-workshop ) | [ ![ ci] ( https://github.com/ccpbiosim/pdb2pqr-workshop/actions/workflows/build.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/pdb2pqr-workshop/actions/workflows/build.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.pdb2pqr-workshop.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/pdb2pqr-workshop/pkgs/container/pdb2pqr-workshop ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/pdb2pqr-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/pdb2pqr-workshop/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/pdb2pqr-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/pdb2pqr-workshop/pulls ) |
3233| [ protein-analysis] ( https://github.com/ccpbiosim/protein-analysis-workshop ) | [ ![ ci] ( https://github.com/ccpbiosim/protein-analysis-workshop/actions/workflows/build.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/protein-analysis-workshop/actions/workflows/build.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.protein-analysis-workshop.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/protein-analysis-workshop/pkgs/container/protein-analysis-workshop ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/protein-analysis-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/protein-analysis-workshop/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/protein-analysis-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/protein-analysis-workshop/pulls ) |
33- | [ protein-ml-workshop ] ( https://github.com/ccpbiosim/protein-ml-workshop ) | [ ![ ci] ( https://github.com/ccpbiosim/protein-ml-workshop/actions/workflows/build.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/protein-ml-workshop/actions/workflows/build.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.protein-ml-workshop.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/protein-ml-workshop/pkgs/container/protein-ml-workshop ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/protein-ml-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/protein-ml-workshop/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/protein-ml-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/protein-ml-workshop/pulls ) |
34+ | [ protein-ml] ( https://github.com/ccpbiosim/protein-ml-workshop ) | [ ![ ci] ( https://github.com/ccpbiosim/protein-ml-workshop/actions/workflows/build.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/protein-ml-workshop/actions/workflows/build.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.protein-ml-workshop.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/protein-ml-workshop/pkgs/container/protein-ml-workshop ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/protein-ml-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/protein-ml-workshop/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/protein-ml-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/protein-ml-workshop/pulls ) |
3435| [ protein-preparation] ( https://github.com/ccpbiosim/protein-preparation-workshop ) | [ ![ ci] ( https://github.com/ccpbiosim/protein-preparation-workshop/actions/workflows/build.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/protein-preparation-workshop/actions/workflows/build.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.protein-preparation-workshop.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/protein-preparation-workshop/pkgs/container/protein-preparation-workshop ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/protein-preparation-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/protein-preparation-workshop/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/protein-preparation-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/protein-preparation-workshop/pulls ) |
3536| [ protein-simulation] ( https://github.com/ccpbiosim/protein-simulation-workshop ) | [ ![ ci] ( https://github.com/ccpbiosim/protein-simulation-workshop/actions/workflows/build.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/protein-simulation-workshop/actions/workflows/build.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.protein-simulation-workshop.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/protein-simulation-workshop/pkgs/container/protein-simulation-workshop ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/protein-simulation-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/protein-simulation-workshop/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/protein-simulation-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/protein-simulation-workshop/pulls ) |
3637| [ python] ( https://github.com/ccpbiosim/python-workshop ) | [ ![ ci] ( https://github.com/ccpbiosim/python-workshop/actions/workflows/build.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/python-workshop/actions/workflows/build.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.python-workshop.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/python-workshop/pkgs/container/python-workshop ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/python-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/python-workshop/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/python-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/python-workshop/pulls ) |
@@ -45,7 +46,6 @@ These containers are in various stages of active development, but not deployed.
4546
4647| Container Source | Repository and CI Snapshot |
4748| -------------------------------------- | ----------------------------------------------------- |
48- | [ openff] ( https://github.com/ccpbiosim/openff-workshop ) | [ ![ ci] ( https://github.com/ccpbiosim/openff-workshop/actions/workflows/build.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/openff-workshop/actions/workflows/build.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.openff-workshop.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/openff-workshop/pkgs/container/openff-workshop ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/openff-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/openff-workshop/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/openff-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/openff-workshop/pulls ) |
4949| [ biosim-analysis] ( https://github.com/ccpbiosim/biosim-analysis-workshop ) | [ ![ ci] ( https://github.com/ccpbiosim/biosim-analysis-workshop/actions/workflows/build.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/biosim-analysis-workshop/actions/workflows/build.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.biosim-analysis-workshop.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/biosim-analysis-workshop/pkgs/container/biosim-analysis-workshop ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/biosim-analysis-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/biosim-analysis-workshop/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/biosim-analysis-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/biosim-analysis-workshop/pulls ) |
5050| [ enhanced-sampling-part1] ( https://github.com/ccpbiosim/enhanced-sampling-workshop ) | [ ![ ci] ( https://github.com/ccpbiosim/enhanced-sampling-workshop/actions/workflows/build-part1.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/enhanced-sampling-workshop/actions/workflows/build-part1.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.enhanced-sampling-workshop-part1.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/enhanced-sampling-workshop/pkgs/container/enhanced-sampling-workshop-part1 ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/enhanced-sampling-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/enhanced-sampling-workshop/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/enhanced-sampling-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/enhanced-sampling-workshop/pulls ) |
5151| [ enhanced-sampling-part2] ( https://github.com/ccpbiosim/enhanced-sampling-workshop ) | [ ![ ci] ( https://github.com/ccpbiosim/enhanced-sampling-workshop/actions/workflows/build-part2.yaml/badge.svg?branch=main )] ( https://github.com/ccpbiosim/enhanced-sampling-workshop/actions/workflows/build-part2.yaml ) [ ![ latest] ( https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.enhanced-sampling-workshop-part2.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple )] ( https://github.com/ccpbiosim/enhanced-sampling-workshop/pkgs/container/enhanced-sampling-workshop-part2 ) [ ![ issues] ( https://img.shields.io/github/issues/ccpbiosim/enhanced-sampling-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/enhanced-sampling-workshop/issues ) [ ![ pr] ( https://img.shields.io/github/issues-pr/ccpbiosim/enhanced-sampling-workshop?logo=github&labelColor=grey )] ( https://github.com/CCPBioSim/enhanced-sampling-workshop/pulls ) |
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