Changes

On December 2, 2024 at 11:12:53 PM UTC, admin:
Set author of MD17 dataset to Muhammed Shuaibi (previously Stephan Günnemann)
Updated description of MD17 dataset from
MD17 is a dataset suitable for testing model performance in molecular dynamics simulations, consisting of predicted energies and atomic forces of eight small organic molecules.
to
The dataset used for benchmarking machine learning force fields (MLFF) and jet tagging.
Added the following tags to MD17 dataset
Changed value of field defined_in to https://doi.org/10.48550/arXiv.2311.17869 in MD17 dataset
Changed value of field extra_authors to [{'extra_author': 'Adeesh Kolluru', 'orcid': ''}, {'extra_author': 'Abhishek Das', 'orcid': ''}, {'extra_author': 'Aditya Grover', 'orcid': ''}, {'extra_author': 'Anuroop Sriram', 'orcid': ''}, {'extra_author': 'Zachary Ulissi', 'orcid': ''}, {'extra_author': 'C. Lawrence Zitnick', 'orcid': ''}] in MD17 dataset
Changed value of field citation to ['https://doi.org/10.48550/arXiv.2106.09575'] in MD17 dataset
Changed value of field landing_page to https://doi.org/10.1038/s41598-021-91141-3 in MD17 dataset
Deleted resource Original Metadata from MD17 dataset
              
    
          
          
        
        
            f 1 { f 1 {
            2   "access_rights": "", 2   "access_rights": "",
            n 3   "author": "Stephan G\u00fcnnemann", n 3   "author": "Muhammed Shuaibi",
            4   "author_email": "", 4   "author_email": "",
            n 5   "citation": [], n 5   "citation": [
            6     "https://doi.org/10.48550/arXiv.2106.09575"
            7   ],
            6   "creator_user_id": "17755db4-395a-4b3b-ac09-e8e3484ca700", 8   "creator_user_id": "17755db4-395a-4b3b-ac09-e8e3484ca700",
            n 7   "defined_in": "https://doi.org/10.48550/arXiv.2003.03123", n 9   "defined_in": "https://doi.org/10.48550/arXiv.2311.17869",
            8   "doi": "10.57702/5ydrl7ic", 10   "doi": "10.57702/5ydrl7ic",
            9   "doi_date_published": "2024-11-25", 11   "doi_date_published": "2024-11-25",
            10   "doi_publisher": "TIB", 12   "doi_publisher": "TIB",
            11   "doi_status": true, 13   "doi_status": true,
            12   "domain": "https://service.tib.eu/ldmservice", 14   "domain": "https://service.tib.eu/ldmservice",
            13   "extra_authors": [ 15   "extra_authors": [
            14     { 16     {
            n 15       "extra_author": "Johannes Gasteiger", n 17       "extra_author": "Adeesh Kolluru",
            16       "orcid": "" 18       "orcid": ""
            17     }, 19     },
            18     { 20     {
            n n 21       "extra_author": "Abhishek Das",
            22       "orcid": ""
            23     },
            24     {
            19       "extra_author": "Janek Gro\u00df", 25       "extra_author": "Aditya Grover",
            26       "orcid": ""
            27     },
            28     {
            29       "extra_author": "Anuroop Sriram",
            30       "orcid": ""
            31     },
            32     {
            33       "extra_author": "Zachary Ulissi",
            34       "orcid": ""
            35     },
            36     {
            37       "extra_author": "C. Lawrence Zitnick",
            20       "orcid": "" 38       "orcid": ""
            21     } 39     }
            22   ], 40   ],
            n 23   "groups": [], n 41   "groups": [
            42     {
            43       "description": "",
            44       "display_name": "Machine Learning",
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            46       "image_display_url": "",
            47       "name": "machine-learning",
            48       "title": "Machine Learning"
            49     },
            50     {
            51       "description": "",
            52       "display_name": "Molecular Dynamics",
            53       "id": "f65a2f63-8ebc-45ae-80f0-3e132b50f26b",
            54       "image_display_url": "",
            55       "name": "molecular-dynamics",
            56       "title": "Molecular Dynamics"
            57     }
            58   ],
            24   "id": "63fef5f3-ff45-43c1-9c51-9bd5dc3ddc59", 59   "id": "63fef5f3-ff45-43c1-9c51-9bd5dc3ddc59",
            25   "isopen": false, 60   "isopen": false,
            n 26   "landing_page": "https://github.com/andrew-sd/MD17", n 61   "landing_page": "https://doi.org/10.1038/s41598-021-91141-3",
            27   "license_title": null, 62   "license_title": null,
            28   "link_orkg": "", 63   "link_orkg": "",
            29   "metadata_created": "2024-11-25T14:44:43.025331", 64   "metadata_created": "2024-11-25T14:44:43.025331",
            n 30   "metadata_modified": "2024-11-25T14:44:43.416739", n 65   "metadata_modified": "2024-12-02T23:12:53.052089",
            31   "name": "md17-dataset", 66   "name": "md17-dataset",
            n 32   "notes": "MD17 is a dataset suitable for testing model performance  n 67   "notes": "The dataset used for benchmarking machine learning force 
            33 in molecular dynamics simulations, consisting of predicted energies  68 fields (MLFF) and jet tagging.",
            34 and atomic forces of eight small organic molecules.", 
            35   "num_resources": 1, 69   "num_resources": 0,
            36   "num_tags": 0, 70   "num_tags": 6,
            37   "organization": { 71   "organization": {
            38     "approval_status": "approved", 72     "approval_status": "approved",
            39     "created": "2024-11-25T12:11:38.292601", 73     "created": "2024-11-25T12:11:38.292601",
            40     "description": "", 74     "description": "",
            41     "id": "079d46db-32df-4b48-91f3-0a8bc8f69559", 75     "id": "079d46db-32df-4b48-91f3-0a8bc8f69559",
            42     "image_url": "", 76     "image_url": "",
            43     "is_organization": true, 77     "is_organization": true,
            44     "name": "no-organization", 78     "name": "no-organization",
            45     "state": "active", 79     "state": "active",
            46     "title": "No Organization", 80     "title": "No Organization",
            47     "type": "organization" 81     "type": "organization"
            48   }, 82   },
            49   "owner_org": "079d46db-32df-4b48-91f3-0a8bc8f69559", 83   "owner_org": "079d46db-32df-4b48-91f3-0a8bc8f69559",
            50   "private": false, 84   "private": false,
            51   "relationships_as_object": [], 85   "relationships_as_object": [],
            52   "relationships_as_subject": [], 86   "relationships_as_subject": [],
            n 53   "resources": [ n 87   "resources": [],
            88   "services_used_list": "",
            89   "state": "active",
            90   "tags": [
            54     { 91     {
            n 55       "cache_last_updated": null, n 92       "display_name": "Dataset",
            56       "cache_url": null, 93       "id": "81587eb2-9569-4a4b-83c8-0e2ac78e7e3b",
            57       "created": "2024-11-25T15:30:26", 94       "name": "Dataset",
            58       "data": [ 
            59         "dcterms:title", 
            60         "dcterms:accessRights", 
            61         "dcterms:creator", 
            62         "dcterms:description", 
            63         "dcterms:issued", 
            64         "dcterms:language", 
            65         "dcterms:identifier", 
            66         "dcat:theme", 
            67         "dcterms:type", 
            68         "dcat:keyword", 
            69         "dcat:landingPage", 
            70         "dcterms:hasVersion", 
            71         "dcterms:format", 
            72         "mls:task", 
            73         "datacite:isDescribedBy" 
            74       ], 
            75       "description": "The json representation of the dataset with its  
            76 distributions based on DCAT.", 
            77       "format": "JSON", 
            78       "hash": "", 
            79       "id": "71697247-4a13-43f2-b755-06e3f902a972", 
            80       "last_modified": "2024-11-25T14:44:43.410054", 
            81       "metadata_modified": "2024-11-25T14:44:43.420058", 
            82       "mimetype": "application/json", 
            83       "mimetype_inner": null, 
            84       "name": "Original Metadata", 
            85       "package_id": "63fef5f3-ff45-43c1-9c51-9bd5dc3ddc59", 
            86       "position": 0, 
            87       "resource_type": null, 
            88       "size": 863, 
            89       "state": "active", 95       "state": "active",
            n 90       "url":  n 96       "vocabulary_id": null
            91 resource/71697247-4a13-43f2-b755-06e3f902a972/download/metadata.json", 97     },
            92       "url_type": "upload" 98     {
            99       "display_name": "Machine Learning",
            100       "id": "c4f3defc-ca48-45a9-9217-ce35bd3ed73c",
            101       "name": "Machine Learning",
            102       "state": "active",
            103       "vocabulary_id": null
            104     },
            105     {
            106       "display_name": "Molecular Dynamics",
            107       "id": "3e042b83-591c-4e1f-9be8-10a601f890e2",
            108       "name": "Molecular Dynamics",
            109       "state": "active",
            110       "vocabulary_id": null
            111     },
            112     {
            113       "display_name": "machine learning",
            114       "id": "9e42784b-6ee7-47e8-a69a-28b8c510212b",
            115       "name": "machine learning",
            116       "state": "active",
            117       "vocabulary_id": null
            118     },
            119     {
            120       "display_name": "molecular dynamics",
            121       "id": "5ef39feb-9502-4faa-ac09-cf44ae804a37",
            122       "name": "molecular dynamics",
            123       "state": "active",
            124       "vocabulary_id": null
            125     },
            126     {
            127       "display_name": "small molecules",
            128       "id": "d324b2b1-12ad-4843-9515-204d89fb85cb",
            129       "name": "small molecules",
            130       "state": "active",
            131       "vocabulary_id": null
            93     } 132     }
            94   ], 133   ],
            t 95   "services_used_list": "", t 
            96   "state": "active", 
            97   "tags": [], 
            98   "title": "MD17 dataset", 134   "title": "MD17 dataset",
            99   "type": "dataset", 135   "type": "dataset",
            100   "version": "" 136   "version": ""
            101 } 137 }