cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.3535/ve1-fkv-kkt
title: Xestia ashworthii subsp. Xestia ashworthii jotunensis (Schoyen, 1887)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/mgq-hx1-cpf
title: Xestia (Pachnobia) speciosa Hübner, 1813

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.15468/dl.gurtxe
title: Occurrence Download

description: A dataset containing 24537 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "TaxonKey is Ziziphus"
 ]
}

 The dataset includes 24537 records from 487 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0034896-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/7q8-4g1-2aj
title: Xestia (Xestia) castanea Esper, 1798

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/qza-hye-9fz
title: Pieris brassicae (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/9ke-t92-dt1
title: Depressaria badiella Hübner, 1801

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/kkn-e63-d10
title: Dioryctria schutzeella Fuchs, 1899

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/ww1-s8h-bra
title: Manulea (Manulea) complana (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/cy9-abg-9pg
title: Hypenodes humidalis Doubleday, 1850

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/p1n-2ma-n37
title: Thyatira batis (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/ax9-m14-rzm
title: Chilodes maritima (Tauscher, 1806)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/drz-wm0-gel
title: Photedes captiuncula Treitschke, 1825

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/44h-1jr-nmd
title: Xestia (Xestia) baja [Denis & Schiffermüller], 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/rdf-xpj-sxn
title: Pieris brassicae (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/6l2-cc4-49y
title: Diarsia mendica Fabricius, 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.15468/dl.6hm5ez
title: Occurrence Download

description: A dataset containing 61489 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "TaxonKey is Elaeocarpus"
 ]
}

 The dataset includes 61489 records from 290 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0034888-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/ab2-96g-j3k
title: Thecla betulae (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/slc-scy-rwl
title: Autographa macrogamma (Eversmann, 1842)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/fcb-3ge-w26
title: Thecla betulae (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/jlz-7yp-5sx
title: Depressaria badiella Hübner, 1801

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/bb5-1kk-tnb
title: Oligia latruncula ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/f89-r3x-p8v
title: Oligia latruncula ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/lw9-d6l-ehc
title: Autographa macrogamma (Eversmann, 1842)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/zjw-gmd-zs8
title: Caradrina (Caradrina) morpheus (Hufnagel, 1766)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/qcq-1xt-yem
title: Enargia paleacea (Esper, 1788)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/gnk-0wp-3hs
title: Anarta (Calocestra) trifolii Hufnagel, 1766

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/a6t-lq4-m2w
title: Oligia latruncula ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/akp-8zs-bxw
title: Hypenodes humidalis Doubleday, 1850

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/2hr-n7j-e5x
title: Ptilodon capucina (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/ggl-tjp-7jy
title: Evergestis Hübner, 1825

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/tx5-3hf-qd2
title: Xanthorhoe spadicearia ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/knj-2pj-01y
title: Xanthorhoe spadicearia ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/rlp-sqd-1nf
title: Hypenodes humidalis Doubleday, 1850

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/qcq-632-cla
title: Sympistis heliophila Paykull, 1793

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/p2c-zes-e3t
title: Acronicta (Triaena) psi (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/r52-773-w6j
title: Thecla betulae (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/0yq-g20-wyr
title: Apamea (Apamea) unanimis (Hübner, 1813)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/3bh-c3z-sjz
title: Vanessa cardui (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/tdf-4ec-b63
title: Autographa mandarina (Freyer, 1845)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/aly-ac1-e0n
title: Lycophotia porphyrea [Denis & Schiffermüller], 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/mf0-7c7-gme
title: Autographa mandarina (Freyer, 1845)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/m91-nb9-16z
title: Achlya flavicornis (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/6ba-gm6-ktn
title: Achlya flavicornis (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/gg9-265-f6d
title: Vanessa cardui (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/tfz-pp4-kd2
title: Sympistis heliophila Paykull, 1793

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/5d5-7l7-fty
title: Xestia ashworthii subsp. Xestia ashworthii jotunensis (Schoyen, 1887)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/nd3-jvj-yfb
title: Oligia latruncula ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/gtx-8hx-pr3
title: Hemaris fuciformis Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/t1z-jqs-sbm
title: Tiliacea citrago Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/zp9-n11-erm
title: Lycophotia porphyrea [Denis & Schiffermüller], 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/rzj-bkp-lsm
title: Conistra (Dasycampa) erythrocephala ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/vw9-pje-6m7
title: Ptilodon capucina (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/lqf-s7b-98f
title: Lygephila (Lygephila) pastinum Treitschke, 1826

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/2ha-51d-h59
title: Ptilodon capucina (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/1tk-sf8-qx9
title: Achlya flavicornis (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/sm0-ez5-93d
title: Anarta (Calocestra) trifolii Hufnagel, 1766

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/sch-qnx-6sp
title: Elophila nymphaeata Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/x2m-be3-wxc
title: Achlya flavicornis (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/83j-kqf-q5b
title: Leucania (Leucania) obsoleta Hübner

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/lnf-cf5-l1b
title: Depressaria badiella Hübner, 1801

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/j5q-7vy-9kz
title: Caradrina (Caradrina) morpheus (Hufnagel, 1766)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/pby-5dm-4vs
title: Photedes captiuncula Treitschke, 1825

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.15468/dl.t489mq
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Chionidae)",
 "Geometry POLYGON((-178.2165527 7.206111,179.7759399 7.206111,179.7759399 83.6235962,-178.2165527 83.6235962,-178.2165527 7.206111))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Human Observation, Specimen)",
 "Continent is one of (North America)"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0034897-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/9ac-lyb-ell
title: Eudonia murana Curtis, 1827

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/wyd-zzd-5b5
title: Xestia (Pachnobia) speciosa Hübner, 1813

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/tx8-yyt-dhx
title: Acronicta (Triaena) psi (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/ghs-945-a09
title: Oligia latruncula ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/s6t-q7f-cf1
title: Lycophotia porphyrea [Denis & Schiffermüller], 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/3ce-3xd-hj7
title: Pediasia truncatellus Zetterstedt, 1840

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/xhs-7bz-9he
title: Leucania (Leucania) obsoleta Hübner

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/a5z-fea-dhz
title: Conistra (Dasycampa) erythrocephala ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/5c4-zxb-dqf
title: Denticucullus pygmina Haworth, 1809

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/xqb-a8w-6zf
title: Litophane hepatica (Clerck, 1759)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/nx1-jbr-vjt
title: Panolis flammea [Denis & Schiffermüller], 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/vwt-70k-ee3
title: Tiliacea citrago Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/e4f-gym-bwy
title: Panolis flammea [Denis & Schiffermüller], 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/5az-j92-s3c
title: Acrobasis repandana Fabricius, 1798

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/lnr-zdy-b29
title: Xestia ashworthii subsp. Xestia ashworthii jotunensis (Schoyen, 1887)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/64l-cw5-sct
title: Photedes captiuncula Treitschke, 1825

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/ana-8nv-zdp
title: Thecla betulae (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/81g-2zf-1l8
title: Coenophila subrosea var. subcaerulea (Staudinger, 1871)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/tz0-za3-pn8
title: Eupithecia lanceata (Hübner, [1825])

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/4vm-yzs-pb7
title: Achlya flavicornis (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/byl-jp3-ql5
title: Autographa macrogamma (Eversmann, 1842)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/6lw-r2m-3af
title: Ptilodon capucina (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/m6y-4br-6pq
title: Hillia iris Zetterstedt, 1839

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/kvd-fef-hvw
title: Achlya flavicornis (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/e9h-x10-e5l
title: Lycophotia porphyrea [Denis & Schiffermüller], 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/fab-hxl-jw4
title: Ptilodon capucina (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/lyj-dwv-bq9
title: Thecla betulae (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/kwe-4x1-al1
title: Autographa macrogamma (Eversmann, 1842)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/nwv-8y0-z4q
title: Gonepteryx rhamni (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/r48-khb-jk1
title: Gymnoscelis rufifasciata (Haworth, 1809)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/2fy-7nm-822
title: Conistra (Dasycampa) erythrocephala ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/awj-3r7-mcg
title: Oligia latruncula ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/vmj-gnf-l1s
title: Cataclysta lemnata Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/3ww-y0g-cwv
title: Oligia latruncula ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/f3x-6e2-6fg
title: Oligia latruncula ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/ql3-1tx-dnr
title: Cataclysta lemnata Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/twk-d64-mp3
title: Boloria Moore, 1900

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/6hg-rsh-jq0
title: Ptilodon capucina (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/y49-jha-z8p
title: Amphipoea oculea Linnaeus, 1761

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/yzk-nbz-0mc
title: Pheosia gnoma (Fabricius, 1776)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.57934/0b01e410801e267e
title: Wijzigingen in code, naam of omvang van gemeenten
DOI: 10.57934/0b01e410801e26b9
title: Adresgegevens en xy-coördinaten van huisartspraktijken
DOI: 10.57934/0b01e410801e26fe
title: Adresgegevens en xy-coördinaten van huisartsenposten
DOI: 10.57934/0b01e410801e271c
title: Adresgegevens en xy-coördinaten van kinderdagverblijven
DOI: 10.15468/dl.ms6gjt
title: Occurrence Download

description: A dataset containing 397729 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Corvus corone",
 "HasCoordinate is true",
 "Country is Spain"
 ]
}

 The dataset includes 397729 records from 40 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045489-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ty65mv
title: Occurrence Download

description: A dataset containing 46 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Turnera subulata",
 "Country is Australia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 46 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045527-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ks6tud
title: Occurrence Download

description: A dataset containing 70 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Minuca zacae"
 ]
}

 The dataset includes 70 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045526-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc3f9g8
title: CCDC 102159: Experimental Crystal Structure Determination

description: Related Article: N.Kuhn, M.Grathwohl, M.Steimann, G.Henkel|1998|Z.Naturforsch.,B:Chem.Sci.|53|997|
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.17085391
title: DT-L dataset's Contact shell representation training csv

description: features_pKa_delta_crystal-2019-general-train-prot_Select-mut0-mut2-prot.csv


The prepared contact shell feature_pka csv file of training dataset from DT-L dataset (derived from mutating PDBbind v.2019 general set).

Specific methods for data filtering: Complexes with Vinardo score deviations from crystal structures more than 1 kcal/mol or ΔScorevina more than 3 kcal/mol were excluded from the DT-L dataset to increase data reliability.



combined_pKa_1pseudo_5delta.csv


Combining features_pKa_delta_crystal-2019-general-train-prot_Select-mut0-mut2-prot.csv (delta) with re-docking poses (pseudo) from PDBbind v.2019 general set. The re-docking poses The ratio of them is 5 delta to 1 pseudo.

The poses generated from re-docking were classified based on their ligand RMSD relative to the native crystallographic pose as either positive docked poses (PDPs; RMSD ≤ 2.0 Å) or negative docked poses (NDPs; RMSD > 2.0 Å).
DOI: 10.5281/zenodo.17085392
title: DT-L dataset's Contact shell representation training csv

description: features_pKa_delta_crystal-2019-general-train-prot_Select-mut0-mut2-prot.csv


The prepared contact shell feature_pka csv file of training dataset from DT-L dataset (derived from mutating PDBbind v.2019 general set).

Specific methods for data filtering: Complexes with Vinardo score deviations from crystal structures more than 1 kcal/mol or ΔScorevina more than 3 kcal/mol were excluded from the DT-L dataset to increase data reliability.



combined_pKa_1pseudo_5delta.csv


Combining features_pKa_delta_crystal-2019-general-train-prot_Select-mut0-mut2-prot.csv (delta) with re-docking poses (pseudo) from PDBbind v.2019 general set. The re-docking poses The ratio of them is 5 delta to 1 pseudo.

The poses generated from re-docking were classified based on their ligand RMSD relative to the native crystallographic pose as either positive docked poses (PDPs; RMSD ≤ 2.0 Å) or negative docked poses (NDPs; RMSD > 2.0 Å).
DOI: 10.15468/dl.6uhgt9
title: Occurrence Download

description: A dataset containing 278575 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is one of (China, Hong Kong, Macao, Chinese Taipei)",
 "HasCoordinate is true",
 "Year is greater than or equal to 1997",
 "Year is less than or equal to 1997"
 ]
}

 The dataset includes 278575 records from 180 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045505-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.