{"id":18766433,"url":"https://github.com/mcs07/docker-postgres-rdkit","last_synced_at":"2025-10-28T03:09:36.207Z","repository":{"id":140476824,"uuid":"140945974","full_name":"mcs07/docker-postgres-rdkit","owner":"mcs07","description":"PostgreSQL Docker image with RDKit cartridge","archived":false,"fork":false,"pushed_at":"2020-05-18T22:45:01.000Z","size":6,"stargazers_count":18,"open_issues_count":3,"forks_count":19,"subscribers_count":2,"default_branch":"master","last_synced_at":"2025-03-26T22:21:39.255Z","etag":null,"topics":["cheminformatics","docker-image","postgresql","rdkit"],"latest_commit_sha":null,"homepage":"https://hub.docker.com/r/mcs07/postgres-rdkit/","language":"Dockerfile","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/mcs07.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}},"created_at":"2018-07-14T12:52:15.000Z","updated_at":"2025-02-17T02:34:57.000Z","dependencies_parsed_at":null,"dependency_job_id":"1c36515c-16b3-4534-9ef5-d9fb060d8c0a","html_url":"https://github.com/mcs07/docker-postgres-rdkit","commit_stats":null,"previous_names":[],"tags_count":3,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mcs07%2Fdocker-postgres-rdkit","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mcs07%2Fdocker-postgres-rdkit/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mcs07%2Fdocker-postgres-rdkit/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mcs07%2Fdocker-postgres-rdkit/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/mcs07","download_url":"https://codeload.github.com/mcs07/docker-postgres-rdkit/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":248670521,"owners_count":21142896,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","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":["cheminformatics","docker-image","postgresql","rdkit"],"created_at":"2024-11-07T18:40:48.917Z","updated_at":"2025-10-28T03:09:31.154Z","avatar_url":"https://github.com/mcs07.png","language":"Dockerfile","funding_links":[],"categories":[],"sub_categories":[],"readme":"# PostgreSQL Docker Image with RDKit Cartridge\n\nThis is a PostgreSQL Docker image with the RDKit cartridge installed.\n\nThis image inherits from the [official postgres image](https://hub.docker.com/_/postgres/), and therefore has all the same environment variables for configuration, and can be extended by adding entrypoint scripts to the `/docker-entrypoint-initdb.d` directory to be run on first launch.\n\n## Running\n\nStart Postgres server running in the background:\n\n    docker run --name mypostgres -p 5432:5432 -e POSTGRES_PASSWORD=mypassword -d mcs07/postgres-rdkit\n\nOr run with an application via Docker Compose:\n\n```yaml\nservices:\n\n  db:\n    image: mcs07/postgres-rdkit\n    restart: always\n    environment:\n      POSTGRES_PASSWORD: mypassword\n    volumes:\n      - /path/to/pgdata:/var/lib/postgresql/data\n\n  adminer:\n    image: adminer\n    restart: always\n    ports:\n      - 8080:8080\n```\n\nThis image exposes port 5432 (the postgres port), so standard container linking will make it automatically available to the linked containers.\n\n## Environment Variables\n\n- `POSTGRES_PASSWORD`: Superuser password for PostgreSQL.\n- `POSTGRES_USER`: Superuser username (default `postgres`).\n- `POSTGRES_DB`: Default database that is created when the image is first started.\n- `PGDATA`: Location for the database files (default `/var/lib/postgresql/data`).\n\nSee the [official postgres image](https://hub.docker.com/_/postgres/) for more details.\n\n## Building\n\nA multi-stage docker build is used to produce a lightweight production image without all the build dependencies. This image uses [mcs07/rdkit](https://github.com/mcs07/docker-rdkit) as an earlier build stage to provide the RDKit libraries.\n\nTo build, run:\n\n    docker build -t postgres-rdkit .\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmcs07%2Fdocker-postgres-rdkit","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fmcs07%2Fdocker-postgres-rdkit","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmcs07%2Fdocker-postgres-rdkit/lists"}