cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.mj6tz2
title: Occurrence Download

description: A dataset containing 14111 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Intellagama lesueurii (Gray, 1831)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1900",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "OccurrenceStatus is Present",
 {
 "not" : {
 "EstablishmentMeans" : [
 "is one of (MANAGED, INTRODUCED)"
 ]
 }
 },
 "CoordinateUncertaintyInMeters is less than or equal to 1000"
 ]
}

 The dataset includes 14111 records from 21 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011003-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.d88aym
title: Occurrence Download

description: A dataset containing 175 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Sideroxylon mascatense (A.DC.) T.D.Penn."
 ]
}

 The dataset includes 175 records from 24 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0112388-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4agkmp
title: Occurrence Download

description: A dataset containing 17369 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is MfN - Auchenorrhyncha Collection",
 "BasisOfRecord is Specimen"
 ]
}

 The dataset includes 17369 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0204202-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.crkaay
title: Occurrence Download

description: A dataset containing 24996 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is RBINS Reptile collection"
 ]
}

 The dataset includes 24996 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011707-230918134249559/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wjbx9a
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Zaireichthys flavomaculatus (Pellegrin, 1926)"
 ]
}

 The dataset includes 4 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0339611-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4ff7nj
title: Occurrence Download

description: A dataset containing 4836803 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Acanthocephala, Acanthocephala Laporte, 1833, Annelida, Brachiopoda, Bryozoa, Cephalorhyncha Adrianov, 1999,1999, Chaetognatha, Cnidaria, Ctenophora, Ctenophora Meigen, 1803, Dicyemida, Echinodermata, Gastrotricha, Gnathostomulida, Hemichordata, Micrognathozoa, Mollusca, Myxozoa, Nematoda, Nematomorpha, Nemertea, Orthonectida, Phoronida, Placozoa, Platyhelminthes, Porifera, Sipuncula, Tardigrada, Xenacoelomorpha, Branchiopoda, Cephalocarida, Malacostraca, Maxillopoda, Merostomata, Ostracoda, Pycnogonida, Sarcoptiformes, Trombidiformes, Ornithodoros Koch, 1837, Ixodes Latreille, 1795, Pontiolaelaps Luxton, 1984, Litogamasus Lee, 1970, Ascidiacea, Appendicularia Fol, 1874, Elasmobranchii, Holocephali, Leptocardii, Myxini, Thaliacea, Cetacea, Otariidae, Phocidae, Enhydra lutris (Linnaeus, 1758), Cheloniidae)",
 "HasCoordinate is true",
 "Geometry POLYGON((-168 69, -168.7 64.8, -166 63.5, -168.3 60, -162.2 57, -160 54.4, -148 57, -138 58, -133 52, -125.6 48, -126 42.7, -123 34, -117 30, -107.5 19.3, -94 14, -87.3 10.5, -81.5 6.6, -79.4 2.3, -82.4 -1, -80 -1, -76.8 3.7, -77.25 7.25, -78.56 9.1, -79.5 9.2, -81.3 8.1, -85.71 11.23, -87.27 13.5, -91.34 14.38, -94.4 16.6, -96.6 15.9, -105 20.2, -104.9 21.8, -112.8 31.4, -120 34.75, -121.8 37.2, -121.6 38, -122.75 38.2, -124 40.4, -123.8 41.6, -124.3 42.85, -123 46, -122.3 47, -122 47.6, -122.4 49.4, -126.6 51.5, -129.6 54.6, -130.85 56.1, -133.6 58.4, -135.6 59.5, -137.5 58.9, -139.5 60, -143.9 60.2, -146 61.2, -149.7 61.6, -151.75 61.1, -157.6 59, -161.4 59.3, -163.8 60.6, -163.8 60, -165.4 61.7, -162.2 63.3, -160.7 63.5, -160.7 65, -159.5 66.5, -165.3 68.5, -156.7 71.1, -168 69))"
 ]
}

 The dataset includes 4836803 records from 1088 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010991-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34816/ifao.archives.134484
title: Ostracon hiératique Ifao - ODM 890_nb_2000_04045

description: Référence : nb_2000_04045<br />Site : Deir el-Médina<br />Type : photographie<br />
DOI: 10.15468/dl.eawqyu
title: Occurrence Download

description: A dataset containing 427 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Allium podolicum Blocki ex Racib. & Szafer"
 ]
}

 The dataset includes 427 records from 26 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0180772-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34816/ifao.archives.134485
title: Ostracon hiératique Ifao - ODM 890_nb_2000_04046

description: Référence : nb_2000_04046<br />Site : Deir el-Médina<br />Type : photographie<br />
DOI: 10.15468/dl.nbzj2g
title: Occurrence Download

description: A dataset containing 242644 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Year is greater than or equal to 1970",
 "TaxonKey is Tabanidae",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 242644 records from 635 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0428215-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34816/ifao.archives.134486
title: Ostracon hiératique Ifao - ODM 890_nb_2000_04047

description: Référence : nb_2000_04047<br />Site : Deir el-Médina<br />Type : photographie<br />
DOI: 10.15468/dl.wcknkh
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Telipogon morganiae (Dodson) N.H.Williams & Dressler"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010437-230810091245214/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34816/ifao.archives.134487
title: Ostracon hiératique Ifao - ODM 890_nu_2003_01524

description: Référence : nu_2003_01524<br />Site : Deir el-Médina<br />Type : photographie<br />
DOI: 10.15468/dl.c6w2w5
title: Occurrence Download

description: A dataset containing 1399 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry MULTIPOLYGON(((-61.34054 -54.64352,-61.3877 -54.64005,-61.43485 -54.63486,-61.48021 -54.62828,-61.52438 -54.61581,-61.5584 -54.60091,-61.59004 -54.58393,-61.6157 -54.56451,-61.63779 -54.54265,-61.68196 -54.50029,-61.68255 -54.49995,-61.68792 -54.49369,-61.71419 -54.4645,-61.74881 -54.43284,-61.75 -54.43192,-61.75 -55.5,-60.75 -55.5,-60.75 -55.75,-58 -55.75,-58 -54.78754,-58.01415 -54.79037,-58.04041 -54.79175,-58.07026 -54.79002,-58.09055 -54.78382,-58.10906 -54.77485,-58.12457 -54.76518,-58.14308 -54.75759,-58.17471 -54.75034,-58.20575 -54.74309,-58.22485 -54.73653,-58.24216 -54.72893,-58.25768 -54.71995,-58.26902 -54.70889,-58.272 -54.69541,-58.26663 -54.68192,-58.26126 -54.66809,-58.26544 -54.65459,-58.27976 -54.64317,-58.29767 -54.63451,-58.31916 -54.62863,-58.34243 -54.62412,-58.37108 -54.6217,-58.39794 -54.62343,-58.42361 -54.62828,-58.44987 -54.63451,-58.47434 -54.64178,-58.49822 -54.64801,-58.56626 -54.66393,-58.60506 -54.67777,-58.64207 -54.69264,-58.68027 -54.70509,-58.72205 -54.71373,-58.76622 -54.7196,-58.80919 -54.72306,-58.87903 -54.72478,-58.94826 -54.72167,-59.0169 -54.7158,-59.08495 -54.71096,-59.15717 -54.70612,-59.16612 -54.70612,-59.23775 -54.70059,-59.24551 -54.70059,-59.29385 -54.69679,-59.3434 -54.69437,-59.36429 -54.69402,-59.38577 -54.69195,-59.40726 -54.69195,-59.42755 -54.69402,-59.44665 -54.70059,-59.46217 -54.71096,-59.46814 -54.72306,-59.47351 -54.73549,-59.48306 -54.74723,-59.4956 -54.75793,-59.50754 -54.76898,-59.52186 -54.7783,-59.54156 -54.7852,-59.56782 -54.79002,-59.5917 -54.79037,-59.61676 -54.78658,-59.62333 -54.78451,-59.66929 -54.77174,-59.71585 -54.76173,-59.7636 -54.75483,-59.81135 -54.74999,-59.86029 -54.74758,-59.90923 -54.74758,-59.95877 -54.7493,-60.00891 -54.7531,-60.06382 -54.75414,-60.11814 -54.75655,-60.17126 -54.76035,-60.22379 -54.76622,-60.27572 -54.77381,-60.32645 -54.78347,-60.37599 -54.7952,-60.42493 -54.80899,-60.47269 -54.82519,-60.48104 -54.82829,-60.50969 -54.83277,-60.54192 -54.83243,-60.56878 -54.82691,-60.59385 -54.81899,-60.61474 -54.80796,-60.63504 -54.79623,-60.65772 -54.78451,-60.68099 -54.77588,-60.74904 -54.75483,-60.75262 -54.75379,-60.7944 -54.74136,-60.86603 -54.72029,-60.9102 -54.7082,-60.98182 -54.68884,-61.02599 -54.67673,-61.07434 -54.66186,-61.12626 -54.64871,-61.17998 -54.64352,-61.2337 -54.64352,-61.28742 -54.64559,-61.34054 -54.64352)))",
 "EventDate is less than or equal to 2021-12-31"
 ]
}

 The dataset includes 1399 records from 38 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0088270-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34816/ifao.archives.134488
title: Ostracon hiératique Ifao - ODM 890_nu_2003_01525

description: Référence : nu_2003_01525<br />Site : Deir el-Médina<br />Type : photographie<br />
DOI: 10.15468/dl.76kx5e
title: Occurrence Download

description: A dataset containing 39 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Abrahamia lecomtei (H.Perrier) Randrian. & Lowry"
 ]
}

 The dataset includes 39 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0238358-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34816/ifao.archives.134489
title: Ostracon hiératique Ifao - ODM 890_nu_2003_01526

description: Référence : nu_2003_01526<br />Site : Deir el-Médina<br />Type : photographie<br />
DOI: 10.15468/dl.febafj
title: Occurrence Download

description: A dataset containing 12 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Viola sempervivum Gay"
 ]
}

 The dataset includes 12 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032297-230810091245214/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34816/ifao.archives.134490
title: Ostracon hiératique Ifao - ODM 890_nu_2003_01527

description: Référence : nu_2003_01527<br />Site : Deir el-Médina<br />Type : photographie<br />
DOI: 10.15468/dl.ku3dh8
title: Occurrence Download

description: A dataset containing 190854 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Country is United States of America",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Andrenidae",
 "Year 1000-2021"
 ]
}

 The dataset includes 190854 records from 70 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0028790-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.c9xpen
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Barneoudia chilensis Gay"
 ]
}

 The dataset includes 3 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0238357-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ymycqn
title: Occurrence Download

description: A dataset containing 463 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Prasinophyceae",
 "HasCoordinate is true",
 "Country is one of (Netherlands)",
 "HasGeospatialIssue is false",
 "Year is greater than 2009"
 ]
}

 The dataset includes 463 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0199484-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3hxupd
title: Occurrence Download

description: A dataset containing 41 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Thalictrum platycarpum Hook.fil. & Thomson"
 ]
}

 The dataset includes 41 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012186-230810091245214/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.exdht9
title: Occurrence Download

description: A dataset containing 4062 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Eira barbara (Linnaeus, 1758)"
 ]
}

 The dataset includes 4062 records from 228 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0356378-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qqtcew
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is Edinburgh (E) Herbarium Specimens",
 "TaxonKey is Callicarpa dolichophylla Merr."
 ]
}

 The dataset includes 5 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0042896-191105090559680/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.z7ser5
title: Occurrence Download

description: A dataset containing 1109 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Leucosidea sericea Eckl. & Zeyh."
 ]
}

 The dataset includes 1109 records from 41 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0008016-230810091245214/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bf8v4t
title: Occurrence Download

description: A dataset containing 41 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Cryptosporella betulae (Tul. & C.Tul.) L.C.Mejía & Castl.)",
 "Geometry POLYGON((-9.36035 44.71551,-10.59082 42.81152,-11.82129 36.80928,-7.69043 36.17336,-3.38379 35.88905,3.12012 38.13456,9.18457 38.20366,11.7334 37.16032,12.78809 34.74161,17.09473 33.79741, 23.15918 34.23451,30.10254 32.62087,33.2666 32.99024,35.72754 35.03,33.00293 35.53223,28.69629 35.17381,28.34473 36.31513,25.7959 37.50973,24.91699 39.90974,28.78418 40.6473,30.71777 41.17865,36.87012 45.213,38.18848 46.98025,38.71582 47.7541,39.94629 47.93107,40.20996 49.61071,37.0459 50.34546,35.72754 50.40152,33.79395 52.26816,31.68457 51.94426,31.4209 53.27835,32.56348 53.43572,30.98145 54.77535,30.89355 55.52863,28.43262 56.02295,27.20215 57.65716,27.37793 58.30949,27.90527 59.17593,29.66309 59.88894,27.6416 60.58697,31.50879 62.75473,28.78418 69.83962,30.89355 70.28912,29.22363 71.55274,21.75293 71.30079,14.28223 70.14036,11.38184 67.47492,4.87793 63.66576,-5.53711 71.52491,-10.63477 71.69129,-21.5332 67.74276,-28.56445 65.36684,-24.3457 61.35461,-9.36035 44.71551))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "Year is less than or equal to 2021"
 ]
}

 The dataset includes 41 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0238337-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gliuhc
title: Occurrence Download

description: A dataset containing 122 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Réseau Loup - Lynx ONCFS - Lynx 2007 présence Occasionnelle Mailles 10km Réseau Loup-Lynx ONCFS"
 ]
}

 The dataset includes 122 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0014160-200221144449610/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.r42cd8
title: Occurrence Download

description: A dataset containing 474396 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Sciurus vulgaris Linnaeus, 1758",
 "Year 1970-2022"
 ]
}

 The dataset includes 474396 records from 898 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0238359-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.x45t2j
title: Occurrence Download

description: A dataset containing 5306667 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Europe",
 "DatasetKey is EOD – eBird Observation Dataset",
 "Issue is Coordinate rounded",
 "OccurrenceStatus is Present",
 "TaxonKey is Aves",
 "Year 2020-2020"
 ]
}

 The dataset includes 5306667 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026348-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ycy93q
title: Occurrence Download

description: A dataset containing 508869 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Egypt",
 "Geometry POLYGON((8.00919 18.30761,53.99081 18.30761,53.99081 36.69239,8.00919 36.69239,8.00919 18.30761))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 508869 records from 645 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026352-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.66xyfb
title: Occurrence Download

description: A dataset containing 2188 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Cacosternum boettgeri (Boulenger, 1882)"
 ]
}

 The dataset includes 2188 records from 43 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026357-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.5sanq6
title: Occurrence Download

description: A dataset containing 10 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Isoetes anatolica Prada & Rolleri"
 ]
}

 The dataset includes 10 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026358-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.af3244
title: Occurrence Download

description: A dataset containing 151 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Cacosternum capense Hewitt, 1925"
 ]
}

 The dataset includes 151 records from 19 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026359-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.13950603
title: OpenFE 1.0rc release: Benchmarking results

description: These are benchmarking results of the OpenFE 1.0rc release. Deposited are the calculated differences in binding free energy for ligands from 15 datasets from the Protein Ligand Benchmark set. The DDG values can be found in the "csv_files" folder, plots of the calculated DDG and DG values against the experimental data can be found in the folder "plots".

Input structures for the benchmark were taking from the protein ligand benchmark repository: 

https://github.com/openforcefield/protein-ligand-benchmark

Settings used in this benchmark: 



Kartograf atom mapper

Minimal spanning networks 

allowing element changes

Partial charge assignment using OpenEye ELF10 (user charges)

Small molecule forcefield: OpenFF 2.1


The ligand networks (including mappings and partial charges) that were run to obtain these results can be found here: 

https://zenodo.org/records/13165855
DOI: 10.5281/zenodo.13950604
title: OpenFE 1.0rc release: Benchmarking results

description: These are benchmarking results of the OpenFE 1.0rc release. Deposited are the calculated differences in binding free energy for ligands from 10 datasets from the Protein Ligand Benchmark set. The DDG values can be found in the "csv_files" folder, plots of the calculated DDG and DG values against the experimental data can be found in the folder "plots".

Input structures for the benchmark were taking from the protein ligand benchmark repository: 

https://github.com/openforcefield/protein-ligand-benchmark

Settings used in this benchmark: 



Kartograf atom mapper

Minimal spanning networks 

allowing element changes

Partial charge assignment using OpenEye ELF10 (user charges)

Small molecule forcefield: OpenFF 2.1


The ligand networks (including mappings and partial charges) that were run to obtain these results can be found here: 

https://zenodo.org/records/13165855
DOI: 10.15468/dl.fyebxq
title: Occurrence Download

description: A dataset containing 267 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Xanthium chinense Mill."
 ]
}

 The dataset includes 267 records from 48 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026360-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.tq6s39
title: Occurrence Download

description: A dataset containing 533 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Manilkara hexandra (Roxb.) Dubard"
 ]
}

 The dataset includes 533 records from 44 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026361-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jnnnym
title: Occurrence Download

description: A dataset containing 2098 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Africa",
 "TaxonKey is Salicornia L."
 ]
}

 The dataset includes 2098 records from 68 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026363-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.