{"id":19339508,"url":"https://github.com/becksteinlab/sampl7_logp_data","last_synced_at":"2026-02-11T03:31:55.774Z","repository":{"id":137558406,"uuid":"351328916","full_name":"Becksteinlab/SAMPL7_logP_data","owner":"Becksteinlab","description":"Supplementary Information for SAMPL7 Physical Properties challenge","archived":false,"fork":false,"pushed_at":"2022-08-05T15:28:31.000Z","size":1792,"stargazers_count":0,"open_issues_count":0,"forks_count":0,"subscribers_count":2,"default_branch":"main","last_synced_at":"2026-01-26T19:24:20.065Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":"Rich Text Format","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/Becksteinlab.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}},"created_at":"2021-03-25T06:15:32.000Z","updated_at":"2022-08-05T05:31:11.000Z","dependencies_parsed_at":null,"dependency_job_id":"b09798e9-95f1-4ed7-821f-99de55a62d19","html_url":"https://github.com/Becksteinlab/SAMPL7_logP_data","commit_stats":null,"previous_names":[],"tags_count":5,"template":false,"template_full_name":null,"purl":"pkg:github/Becksteinlab/SAMPL7_logP_data","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Becksteinlab%2FSAMPL7_logP_data","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Becksteinlab%2FSAMPL7_logP_data/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Becksteinlab%2FSAMPL7_logP_data/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Becksteinlab%2FSAMPL7_logP_data/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/Becksteinlab","download_url":"https://codeload.github.com/Becksteinlab/SAMPL7_logP_data/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Becksteinlab%2FSAMPL7_logP_data/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":29326162,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-02-11T02:08:56.257Z","status":"ssl_error","status_checked_at":"2026-02-11T02:08:51.338Z","response_time":97,"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":"2024-11-10T03:22:32.819Z","updated_at":"2026-02-11T03:31:55.756Z","avatar_url":"https://github.com/Becksteinlab.png","language":"Rich Text Format","funding_links":[],"categories":[],"sub_categories":[],"readme":"# SAMPL7 logP data\n\n[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5059780.svg)](https://doi.org/10.5281/zenodo.5059780)\n\n\nSupplementary Information for SAMPL7 Physical Properties challenge and the paper\n\n_Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules._ Shujie Fan, Hristo Nedev,  Ranjit Vijayan, Bogdan I. Iorga, Oliver Beckstein. _Journal of Computer-Aided Molecular Design_ 2021, doi: [10.1007/s10822-021-00407-4](https://doi.org/10.1007/s10822-021-00407-4)\n\nAll data are published under the open data MIT License. Please see the file [LICENSE](LICENSE) for details.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fbecksteinlab%2Fsampl7_logp_data","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fbecksteinlab%2Fsampl7_logp_data","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fbecksteinlab%2Fsampl7_logp_data/lists"}