{ "access": { "embargo": { "active": false, "reason": null }, "files": "public", "record": "public", "status": "open" }, "created": "2025-10-20T23:24:04.495210+00:00", "custom_fields": { "code:codeRepository": "https://github.com/OpenFreeEnergy/gufe" }, "deletion_status": { "is_deleted": false, "status": "P" }, "files": { "count": 1, "enabled": true, "entries": { "OpenFreeEnergy/gufe-v1.7.0.zip": { "access": { "hidden": false }, "checksum": "md5:adf11480affcdbf2d00bd91412a4aebb", "ext": "zip", "id": "c5093a64-5ac7-464d-ad7d-be5380c7dce5", "key": "OpenFreeEnergy/gufe-v1.7.0.zip", "links": { "content": "https://zenodo.org/api/records/17402138/files/OpenFreeEnergy/gufe-v1.7.0.zip/content", "self": "https://zenodo.org/api/records/17402138/files/OpenFreeEnergy/gufe-v1.7.0.zip" }, "metadata": null, "mimetype": "application/zip", "size": 412526, "storage_class": "L" } }, "order": [], "total_bytes": 412526 }, "id": "17402138", "is_draft": false, "is_published": true, "links": { "access": "https://zenodo.org/api/records/17402138/access", "access_grants": "https://zenodo.org/api/records/17402138/access/grants", "access_links": "https://zenodo.org/api/records/17402138/access/links", "access_request": "https://zenodo.org/api/records/17402138/access/request", "access_users": "https://zenodo.org/api/records/17402138/access/users", "archive": "https://zenodo.org/api/records/17402138/files-archive", "archive_media": "https://zenodo.org/api/records/17402138/media-files-archive", "communities": "https://zenodo.org/api/records/17402138/communities", "communities-suggestions": "https://zenodo.org/api/records/17402138/communities-suggestions", "doi": "https://doi.org/10.5281/zenodo.17402138", "draft": "https://zenodo.org/api/records/17402138/draft", "file_modification": "https://zenodo.org/api/records/17402138/file-modification", "files": "https://zenodo.org/api/records/17402138/files", "latest": "https://zenodo.org/api/records/17402138/versions/latest", "latest_html": "https://zenodo.org/records/17402138/latest", "media_files": "https://zenodo.org/api/records/17402138/media-files", "parent": "https://zenodo.org/api/records/8296913", "parent_doi": "https://doi.org/10.5281/zenodo.8296913", "parent_doi_html": "https://zenodo.org/doi/10.5281/zenodo.8296913", "parent_html": "https://zenodo.org/records/8296913", "preview_html": "https://zenodo.org/records/17402138?preview=1", "quota_increase": "https://zenodo.org/api/records/17402138/quota-increase", "request_deletion": "https://zenodo.org/api/records/17402138/request-deletion", "requests": "https://zenodo.org/api/records/17402138/requests", "reserve_doi": "https://zenodo.org/api/records/17402138/draft/pids/doi", "self": "https://zenodo.org/api/records/17402138", "self_doi": "https://doi.org/10.5281/zenodo.17402138", "self_doi_html": "https://zenodo.org/doi/10.5281/zenodo.17402138", "self_html": "https://zenodo.org/records/17402138", "self_iiif_manifest": "https://zenodo.org/api/iiif/record:17402138/manifest", "self_iiif_sequence": "https://zenodo.org/api/iiif/record:17402138/sequence/default", "versions": "https://zenodo.org/api/records/17402138/versions" }, "media_files": { "count": 0, "enabled": false, "entries": {}, "order": [], "total_bytes": 0 }, "metadata": { "additional_descriptions": [ { "description": "If you use this software, please cite it as below.", "type": { "id": "notes", "title": { "de": "Anmerkungen", "en": "Notes" } } } ], "creators": [ { "person_or_org": { "family_name": "Gowers", "given_name": "Richard J.", "identifiers": [ { "identifier": "0000-0002-3241-1846", "scheme": "orcid" } ], "name": "Gowers, Richard J.", "type": "personal" } }, { "person_or_org": { "family_name": "Alibay", "given_name": "Irfan", "identifiers": [ { "identifier": "0000-0001-5787-9130", "scheme": "orcid" } ], "name": "Alibay, Irfan", "type": "personal" } }, { "person_or_org": { "family_name": "Dotson", "given_name": "David L.", "identifiers": [ { "identifier": "0000-0001-5879-2942", "scheme": "orcid" } ], "name": "Dotson, David L.", "type": "personal" } }, { "person_or_org": { "family_name": "Swenson", "given_name": "David W.H.", "identifiers": [ { "identifier": "0000-0001-9922-7923", "scheme": "orcid" } ], "name": "Swenson, David W.H.", "type": "personal" } }, { "person_or_org": { "family_name": "Henry", "given_name": "Michael M.", "identifiers": [ { "identifier": "0000-0002-3870-9993", "scheme": "orcid" } ], "name": "Henry, Michael M.", "type": "personal" } }, { "person_or_org": { "family_name": "Ries", "given_name": "Benjamin", "identifiers": [ { "identifier": "0000-0002-0945-8304", "scheme": "orcid" } ], "name": "Ries, Benjamin", "type": "personal" } }, { "person_or_org": { "family_name": "Mitchell", "given_name": "Joshua A.", "identifiers": [ { "identifier": "0000-0002-8246-5113", "scheme": "orcid" } ], "name": "Mitchell, Joshua A.", "type": "personal" } }, { "person_or_org": { "family_name": "Baumann", "given_name": "Hannah M.", "identifiers": [ { "identifier": "0000-0002-1736-7744", "scheme": "orcid" } ], "name": "Baumann, Hannah M.", "type": "personal" } }, { "person_or_org": { "family_name": "Thompson", "given_name": "Matthew W.", "identifiers": [ { "identifier": "0000-0002-1460-3983", "scheme": "orcid" } ], "name": "Thompson, Matthew W.", "type": "personal" } }, { "person_or_org": { "family_name": "Kenney", "given_name": "Ian M.", "identifiers": [ { "identifier": "0000-0002-9749-8866", "scheme": "orcid" } ], "name": "Kenney, Ian M.", "type": "personal" } }, { "person_or_org": { "family_name": "MacDermott-Opeskin", "given_name": "Hugo", "identifiers": [ { "identifier": "0000-0002-7393-7457", "scheme": "orcid" } ], "name": "MacDermott-Opeskin, Hugo", "type": "personal" } }, { "person_or_org": { "family_name": "Horton", "given_name": "Joshua T.", "identifiers": [ { "identifier": "0000-0001-8694-7200", "scheme": "orcid" } ], "name": "Horton, Joshua T.", "type": "personal" } }, { "person_or_org": { "family_name": "Andreev", "given_name": "Georgy", "identifiers": [ { "identifier": "0009-0004-8126-6085", "scheme": "orcid" } ], "name": "Andreev, Georgy", "type": "personal" } }, { "person_or_org": { "family_name": "Travitz", "given_name": "Alyssa", "identifiers": [ { "identifier": "0000-0001-5953-8807", "scheme": "orcid" } ], "name": "Travitz, Alyssa", "type": "personal" } }, { "person_or_org": { "family_name": "Pulido", "given_name": "Iv\u00e1n J.", "identifiers": [ { "identifier": "0000-0002-7178-8136", "scheme": "orcid" } ], "name": "Pulido, Iv\u00e1n J.", "type": "personal" } } ], "description": "

Changelog for humans

\n

https://gufe.openfree.energy/en/stable/CHANGELOG.html#v1-7-0

\n

What's Changed

\n\n

Full Changelog: https://github.com/OpenFreeEnergy/gufe/compare/v1.6.1...v1.7.0

", "publication_date": "2025-10-21", "publisher": "Zenodo", "related_identifiers": [ { "identifier": "https://github.com/OpenFreeEnergy/gufe/tree/v1.7.0", "relation_type": { "id": "issupplementto", "title": { "de": "Erg\u00e4nzt", "en": "Is supplement to" } }, "resource_type": { "id": "software", "title": { "de": "Software", "en": "Software" } }, "scheme": "url" } ], "resource_type": { "id": "software", "title": { "de": "Software", "en": "Software" } }, "rights": [ { "description": { "en": "A short and simple permissive license with conditions only requiring preservation of copyright and license notices. Licensed works, modifications, and larger works may be distributed under different terms and without source code." }, "id": "mit", "props": { "scheme": "spdx", "url": "https://opensource.org/licenses/MIT" }, "title": { "en": "MIT License" } } ], "title": "gufe", "version": "v1.7.0" }, "parent": { "access": { "owned_by": { "user": "199397" }, "settings": { "accept_conditions_text": null, "allow_guest_requests": false, "allow_user_requests": false, "secret_link_expiration": 0 } }, "communities": { "default": "00542d84-f7c8-4dc6-9c3f-2c3bdd7f2c27", "entries": [ { "access": { "member_policy": "open", "members_visibility": "public", "record_submission_policy": "open", "review_policy": "open", "visibility": "public" }, "children": { "allow": false }, "created": "2022-09-29T20:38:55.981116+00:00", "custom_fields": {}, "deletion_status": { "is_deleted": false, "status": "P" }, "id": "00542d84-f7c8-4dc6-9c3f-2c3bdd7f2c27", "links": {}, "metadata": { "curation_policy": "

Any materials and data produced as a part of Open Free Energy Initiative efforts or application studies using Open Free Energy toolkits and other software.

", "description": "Presentations relating to the Open Free Energy project; an open source project producing free software for free energy calculations.", "page": "

This community contains materials created within Open Free Energy Initiative or associated with it. Open Free Energy Initiative is an academic-industry partnership to develop open source tools for free energy calculations, providing both a platform for developing new methods and straightforward tools that follow best practices when using existing methods. More information about Open Free Energy efforts and the available code and data can be found at our website or GitHub repository.

", "title": "Open Free Energy", "type": { "id": "organization" }, "website": "https://openfree.energy" }, "revision_id": 9, "slug": "openfreeenergy", "updated": "2025-10-02T20:58:50.489652+00:00" } ], "ids": [ "00542d84-f7c8-4dc6-9c3f-2c3bdd7f2c27" ] }, "id": "8296913", "pids": { "doi": { "client": "datacite", "identifier": "10.5281/zenodo.8296913", "provider": "datacite" } } }, "pids": { "doi": { "client": "datacite", "identifier": "10.5281/zenodo.17402138", "provider": "datacite" }, "oai": { "identifier": "oai:zenodo.org:17402138", "provider": "oai" } }, "revision_id": 4, "stats": { "all_versions": { "data_volume": 97381833.0, "downloads": 193, "unique_downloads": 193, "unique_views": 808, "views": 822 }, "this_version": { "data_volume": 2887682.0, "downloads": 7, "unique_downloads": 7, "unique_views": 119, "views": 121 } }, "status": "published", "swh": {}, "updated": "2025-10-20T23:24:05.065075+00:00", "versions": { "index": 20, "is_latest": false } }