cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.yxk74k
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Scleranthus perennis subsp. vulcanicus (Strobl) Bég.",
 "HasCoordinate is true",
 "Continent is Europe",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 2000",
 "CoordinateUncertaintyInMeters is less than 10000"
 ]
}

 The dataset includes 3 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005949-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.d9vkyq
title: Occurrence Download

description: A dataset containing 12464 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Fraxinus pennsylvanica Marshall"
 ]
}

 The dataset includes 12464 records from 224 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0109390-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vpcxfx
title: Occurrence Download

description: A dataset containing 23578 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "DatasetKey is NMNH Extant Specimen Records (USNM, US)",
 "TaxonKey is Convolvulaceae"
 ]
}

 The dataset includes 23578 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006948-190813142620410/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.787vum
title: Occurrence Download

description: A dataset containing 5271 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Scorpiurus muricatus L.",
 "HasCoordinate is true",
 "Continent is Europe",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 2000",
 "CoordinateUncertaintyInMeters is less than 10000"
 ]
}

 The dataset includes 5271 records from 118 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005955-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.uh3fvj
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Abarema abbottii (Rose & Leonard) Barneby & J.W.Grimes, Abarema acreana (J.F.Macbr.) L.Rico, Abarema alexandri (Urb.) Barneby & J.W.Grimes, Abarema asplenifolia (Griseb.) Barneby & J.W.Grimes)",
 "BasisOfRecord is Literature Occurrence"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009765-190813142620410/datasets/export for details.
DOI: 10.15468/dl.carzuu
title: Occurrence Download

description: A dataset containing 903542 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-3.63167 36.81499,-2.41219 36.81499,-2.41219 37.22561,-3.63167 37.22561,-3.63167 36.81499))",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 903542 records from 257 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0123774-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.laud6t
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Machine Observation",
 "BasisOfRecord is Observation"
 ]
 },
 "HasCoordinate is true",
 "TaxonKey is Ambystoma granulosum Taylor, 1944",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 7 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0008981-190813142620410/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ujm3nd
title: Occurrence Download

description: A dataset containing 39168 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Scorzonera humilis L.",
 "HasCoordinate is true",
 "Continent is Europe",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 2000",
 "CoordinateUncertaintyInMeters is less than 10000"
 ]
}

 The dataset includes 39168 records from 342 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005972-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2d9qyd
title: Occurrence Download

description: A dataset containing 945 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pleiogynium Engl."
 ]
}

 The dataset includes 945 records from 70 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0199096-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.b8jpaf
title: Occurrence Download

description: A dataset containing 841422 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Puerto Rico Long-Term Coral Reef Monitoring Program Database Compilation"
 ]
}

 The dataset includes 841422 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0263662-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.57v95x
title: Occurrence Download

description: A dataset containing 1558 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Hypopachus ustus (Cope, 1866)"
 ]
}

 The dataset includes 1558 records from 59 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0119645-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bsm8kw
title: Occurrence Download

description: A dataset containing 640 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Micronychia Oliv."
 ]
}

 The dataset includes 640 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0199084-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.azg3ac
title: Occurrence Download

description: A dataset containing 620 species occurrences available in GBIF matching the query:
{
 "and" : [
 "CoordinateUncertaintyInMeters 1.0-4469.0",
 "Country is Germany",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Vipera berus (Linnaeus, 1758)"
 ]
}

 The dataset includes 620 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0151896-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.esbzv6
title: Occurrence Download

description: A dataset containing 717 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Dendrotriton Wake & Elias, 1983",
 "Year 1901-2021"
 ]
}

 The dataset includes 717 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027398-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4juy4b
title: Occurrence Download

description: A dataset containing 83 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Maytenus salicifolia Reissek"
 ]
}

 The dataset includes 83 records from 19 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0185938-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.y8hth7
title: Occurrence Download

description: A dataset containing 166 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Nothopegia Blume"
 ]
}

 The dataset includes 166 records from 14 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0199089-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.r7fd8a
title: Occurrence Download

description: A dataset containing 1747 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is South America",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Vicugna vicugna (Molina, 1782)"
 ]
}

 The dataset includes 1747 records from 21 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0059954-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.w49s6f
title: Occurrence Download

description: A dataset containing 3332 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Myracrodruon Allemão"
 ]
}

 The dataset includes 3332 records from 181 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0199088-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.25r5qz
title: Occurrence Download

description: A dataset containing 858 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pachycormus Coville"
 ]
}

 The dataset includes 858 records from 61 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0199092-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ffvmwg
title: Occurrence Download

description: A dataset containing 3981 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "TaxonKey is Pycnonotus xanthorrhous Anderson, 1869"
 ]
}

 The dataset includes 3981 records from 21 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0086630-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4btbcs
title: Occurrence Download

description: A dataset containing 2988 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Cora Fr."
 ]
}

 The dataset includes 2988 records from 120 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0119642-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wbnqbs
title: Occurrence Download

description: A dataset containing 8071065 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Specimen"
 ]
 },
 "Geometry POLYGON((-169.10156 70.14036,-168.39844 67.06743,-169.10156 59.17593,-173.32031 54.16243,-123.39844 17.97873,-77.69531 -28.92163,-87.77481 -60.35224,-36.68894 -56.97397,-37.61778 -39.24118,-30.1871 -17.37524,-37.61778 18.25951,-49.69262 45.41349,-36.91406 51.61802,-33.05072 65.16474,-9.87229 71.19014,-2.46094 83.59903,-66.44531 84.40594,-127.61719 81.09321,-149.41406 75.84517,-169.10156 70.14036))",
 "HasGeospatialIssue is false",
 "TaxonKey is Sayornis Bonaparte, 1854",
 "Year 1980-2021"
 ]
}

 The dataset includes 8071065 records from 198 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0180385-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9euzd6
title: Occurrence Download

description: A dataset containing 289 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pegia Colebr."
 ]
}

 The dataset includes 289 records from 23 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0199093-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vt5ftr
title: Occurrence Download

description: A dataset containing 661 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Operculicarya H.Perrier"
 ]
}

 The dataset includes 661 records from 30 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0199090-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.d37y72
title: Occurrence Download

description: A dataset containing 50 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Country is Colombia",
 "DatasetKey is Colección Ornitológica de la Universidad del Valle",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Galliformes"
 ]
}

 The dataset includes 50 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0199098-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7gokg8
title: Occurrence Download

description: A dataset containing 38 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Liquidambar styraciflua var. mexicana Oerst."
 ]
}

 The dataset includes 38 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013188-181108115102211/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vznt55
title: Occurrence Download

description: A dataset containing 216 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "Country is Peru",
 "Country is Canada",
 "Country is India",
 "Country is Bhutan",
 "Country is Myanmar",
 "Country is Viet Nam",
 "Country is Nepal",
 "Country is United States of America",
 "Country is China",
 "Country is Cuba"
 ]
 },
 "TaxonKey is Polygonatum punctatum Royle ex Kunth"
 ]
}

 The dataset includes 216 records from 23 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022527-200221144449610/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.m5tncw
title: Occurrence Download

description: A dataset containing 91 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Country is Mexico",
 "TaxonKey is Myotis albescens (E.Geoffroy, 1806)"
 ]
}

 The dataset includes 91 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026663-200221144449610/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zshq5m
title: Occurrence Download

description: A dataset containing 8286 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "TaxonKey is Crocodylidae"
 ]
}

 The dataset includes 8286 records from 137 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027396-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9n6q7y
title: Occurrence Download

description: A dataset containing 1074 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Drosera burmannii Vahl"
 ]
}

 The dataset includes 1074 records from 39 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0119652-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.g4dj5c
title: Occurrence Download

description: A dataset containing 23694 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Portuguese Moth Recording Scheme"
 ]
}

 The dataset includes 23694 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0059955-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.paasqq
title: Occurrence Download

description: A dataset containing 1327 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Argentina",
 "Geometry POLYGON((-72.37793 -41.37451,-71.21338 -41.26465,-67.79663 -39.6167,-63.74268 -40.84717,-62.64404 -41.50635,-62.40234 -39.90974,-67.44507 -38.55103,-69.43404 -37.49918,-70.99365 -36.30981,-70.46631 -38.06763,-69.44458 -39.08936,-71.45508 -40.26489,-71.90552 -40.37476,-72.37793 -41.37451))",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Animalia",
 "Year 2021-2021"
 ]
}

 The dataset includes 1327 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0086635-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.5ctxj8
title: Occurrence Download

description: A dataset containing 655 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "BasisOfRecord is Observation",
 "BasisOfRecord is Machine Observation",
 "BasisOfRecord is Human Observation"
 ]
 },
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Cenchrus longispinus (Hack.) Fernald"
 ]
}

 The dataset includes 655 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027402-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ckj882
title: Occurrence Download

description: A dataset containing 685 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Specimen"
 ]
 },
 "Geometry POLYGON((-169.10156 70.14036,-168.39844 67.06743,-169.10156 59.17593,-173.32031 54.16243,-123.39844 17.97873,-77.69531 -28.92163,-87.77481 -60.35224,-36.68894 -56.97397,-37.61778 -39.24118,-30.1871 -17.37524,-37.61778 18.25951,-49.69262 45.41349,-36.91406 51.61802,-33.05072 65.16474,-9.87229 71.19014,-2.46094 83.59903,-66.44531 84.40594,-127.61719 81.09321,-149.41406 75.84517,-169.10156 70.14036))",
 "HasGeospatialIssue is false",
 "TaxonKey is Saucerottia castaneiventris (Gould, 1856)",
 "Year 1980-2021"
 ]
}

 The dataset includes 685 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0180382-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.d3w7hv
title: Occurrence Download

description: A dataset containing 4479 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Incilius marmoreus (Wiegmann, 1833)"
 ]
}

 The dataset includes 4479 records from 60 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0119648-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.f3cbc2
title: Occurrence Download

description: A dataset containing 4326 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pinus contorta latifolia"
 ]
}

 The dataset includes 4326 records from 109 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0057506-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.16283828
title: Datasets for MulitModalSpectralTransformer project

description: Data Repository for "Advancing Structure Elucidation with a Flexible Multi-Spectral AI Model"

IMPORTANT NOTE: This is part of a multi-part data repository. Due to the large size of the files, the complete dataset, models, and experimental results are split across three separate Zenodo uploads. To fully reproduce the findings of our publication, you must download all files from all three of the following links:





Data Repository Part 1: https://doi.org/10.5281/zenodo.16076914




Data Repository Part 2: https://doi.org/10.5281/zenodo.16257786




Data Repository Part 3: https://doi.org/10.5281/zenodo.17284940



This repository contains the complete dataset, pre-trained models, and experimental results required to reproduce the findings presented in our publication, "Advancing Structure Elucidation with a Flexible Multi-Spectral AI Model." The source code is available separately on GitHub.

Contents

The downloaded files are split archives that, once combined and extracted, will create the following folders:





models/: Pre-trained model weights for MultiModalSpectralTransformer (MMST), SGNN, Mol2Mol, and ChemProp-IR networks.




data/: Complete training and validation datasets, including:





ZINC dataset (4M molecules with simulated spectra)




PubChem dataset (1.5M molecules with simulated spectra)




IBM Alberts dataset (650k molecules with simulated spectra)






past_experiments/: Complete experimental validation results, benchmarks, and reproducibility data.



Note: To reproduce the reviewer-requested global impact analysis, you must also download the Reviewer_Experiment_Global_Impact.zip file separately and extract its contents into the past_experiments/ChemXriv/ directory after completing the main setup.

Setup Instructions





Clone the GitHub repository:git clone https://github.com/mpriessner/MultiModalSpectralTransformer.git




Download all compressed files: Make sure to download every .partXX file from all three Zenodo links provided above. Place all of them together in the same directory.




Combine and Extract: Once all parts are downloaded, use a file archiver that supports split .tar.xz archives (like tar on Linux/macOS or 7-Zip on Windows) to extract the contents. You only need to run the extraction command on the first part of each archive (e.g., data.tar.xz.partaa); the tool will automatically find and combine the other parts.




Organize Folders: Move the extracted folders (models, data, and past_experiments) directly into the main repository directory you cloned in step 1.



After extraction, your repository structure should contain the necessary models/, data/, and past_experiments/ folders with all the files required for running the notebooks and reproducing the results.

For implementation details, usage instructions, and the complete source code, please refer to our Github Reporitory: https://github.com/mpriessner/MultiModalSpectralTransformer