{"id":29950777,"url":"https://github.com/mlund/si-polarization-switching-model","last_synced_at":"2026-02-23T15:32:32.853Z","repository":{"id":40300016,"uuid":"365979476","full_name":"mlund/SI-polarization-switching-model","owner":"mlund","description":"Supporting information for Polarized Switching Force Field Model for Membrane Translocation","archived":false,"fork":false,"pushed_at":"2023-04-11T07:54:04.000Z","size":63973,"stargazers_count":0,"open_issues_count":0,"forks_count":1,"subscribers_count":2,"default_branch":"main","last_synced_at":"2025-10-25T21:41:36.862Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":"","language":"Rich Text Format","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"cc0-1.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/mlund.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":".zenodo.json"}},"created_at":"2021-05-10T08:58:53.000Z","updated_at":"2022-05-05T14:31:52.000Z","dependencies_parsed_at":"2025-08-27T19:45:00.486Z","dependency_job_id":null,"html_url":"https://github.com/mlund/SI-polarization-switching-model","commit_stats":null,"previous_names":[],"tags_count":2,"template":false,"template_full_name":"mlund/template-for-supporting-information","purl":"pkg:github/mlund/SI-polarization-switching-model","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mlund%2FSI-polarization-switching-model","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mlund%2FSI-polarization-switching-model/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mlund%2FSI-polarization-switching-model/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mlund%2FSI-polarization-switching-model/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/mlund","download_url":"https://codeload.github.com/mlund/SI-polarization-switching-model/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mlund%2FSI-polarization-switching-model/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":29746563,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-02-23T07:44:07.782Z","status":"ssl_error","status_checked_at":"2026-02-23T07:44:07.432Z","response_time":90,"last_error":"SSL_read: unexpected eof while reading","robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":false,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":[],"created_at":"2025-08-03T11:19:18.022Z","updated_at":"2026-02-23T15:32:32.821Z","avatar_url":"https://github.com/mlund.png","language":"Rich Text Format","funding_links":[],"categories":[],"sub_categories":[],"readme":"[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/mlund/SI-polarization-switching-model/HEAD)\n\n# Electronic Notebook: Electronic polarization effects on membrane translocation of anti-cancer drugs\n\nSupporting information for reproducing results in the scientific article\n[_Electronic polarization effects on membrane translocation of anti-cancer drugs_](https://dx.doi.org/10.1039/d2cp00056c).\n\n\n## Directory Layout\n\n- `Simulations/` - SMD trajectories for umbrella sampling \n- `Topology-DLPC/` - Topology files for DLPC membrane\n- `Topology-DPPC/` - Topology files for DPPC membrane\n- `Topology-POPC/` - Topology files for POPC membrane \n- `plots/` - reproduction of plots presented on the article\n\n## Requirements\n\nTo run the Notebooks online, click on the _Launch Binder_ logo above. Alternatively, if you want to run on your own computer,\ninstall python using e.g. [Miniconda](https://conda.io/miniconda.html) or [Anaconda](https://docs.conda.io))\nand make sure all required packages are loaded by issuing the following terminal commands\n\n``` bash\n    conda env create -f environment.yml\n    source activate switchingff\n    jupyter-notebook\n```\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmlund%2Fsi-polarization-switching-model","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fmlund%2Fsi-polarization-switching-model","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmlund%2Fsi-polarization-switching-model/lists"}