cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.r3swsh
title: Occurrence Download

description: A dataset containing 3401 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Boiga irregularis (Bechstein, 1802)"
 ]
}

 The dataset includes 3401 records from 42 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004316-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/inscriptifact-ouc112044836
title: Cuneiform Tablet 1913.14.0169, Spurlock 1913.14.0169

description: [Text Description:] Administrative tablet ❧ [Text or Publication Number Note:] Spurlock 1913.14.0169; CDLI P420550 ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform ❧ [Physical Object Description:] Yellowish White (10YR 9/2) Brownish Pink (5YR 8/3) ❧ [Physical Object Note:] 7.5 x 4.5 x 2.3 cm (82g) ❧ [Physical Object Note:] Seal impressions
DOI: 10.15468/dl.w8pcb2
title: Occurrence Download

description: A dataset containing 115 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Nassarius jacksonianus (Quoy & Gaimard, 1833)"
 ]
}

 The dataset includes 115 records from 24 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0092871-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.h3zb6n
title: Occurrence Download

description: A dataset containing 17943 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Turtur afer (Linnaeus, 1766))",
 "BasisOfRecord is one of (Specimen, Human Observation, Observation, Machine Observation)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 17943 records from 82 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0293444-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/inscriptifact-ouc112044837
title: Cuneiform Tablet 1913.14.0169, Spurlock 1913.14.0169

description: [Text Description:] Administrative tablet ❧ [Text or Publication Number Note:] Spurlock 1913.14.0169; CDLI P420550 ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform ❧ [Physical Object Description:] Yellowish White (10YR 9/2) Brownish Pink (5YR 8/3) ❧ [Physical Object Note:] 7.5 x 4.5 x 2.3 cm (82g) ❧ [Physical Object Note:] Seal impressions
DOI: 10.15468/dl.z7ejze
title: Occurrence Download

description: A dataset containing 134 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "TaxonKey is Brassica nigra (L.) W.D.J.Koch",
 "Country is one of (Switzerland)"
 ]
}

 The dataset includes 134 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0344995-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jt7jp8
title: Occurrence Download

description: A dataset containing 259 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON ((-71.1466709000000037 42.3755215999999990, -71.1466709000000037 42.3764907799999975, -71.1466709000000037 42.3777368699999997, -71.1466709000000037 42.3784752899999972, -71.1466709000000037 42.3795367700000014, -71.1466709000000037 42.3803674999999984, -71.1457510799999966 42.3803674999999984, -71.1449232399999971 42.3803674999999984, -71.1440034200000042 42.3803674999999984, -71.1427156700000012 42.3803674999999984, -71.1420717999999965 42.3803674999999984, -71.1420717999999965 42.3796290800000008, -71.1420717999999965 42.3787983499999967, -71.1420717999999965 42.3782906900000000, -71.1420717999999965 42.3774599600000030, -71.1420717999999965 42.3762138700000008, -71.1420717999999965 42.3755215999999990, -71.1426696799999974 42.3755215999999990, -71.1439574300000004 42.3755215999999990, -71.1447392799999960 42.3755215999999990, -71.1456591000000031 42.3755215999999990, -71.1466709000000037 42.3755215999999990))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1932",
 "BasisOfRecord is one of (Human Observation, Living Specimen, Observation, Specimen, Machine Observation)"
 ]
}

 The dataset includes 259 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0092816-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.r7y8st
title: Occurrence Download

description: A dataset containing 178 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Achillea virescens (Fenzl) Heimerl"
 ]
}

 The dataset includes 178 records from 26 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0296964-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/5wy-z03-qsf
title: Vicia sativa subsp. sativa

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/p8q-ryb-c4w
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/0jb-12w-44b
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/fc2-b4s-7ja
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/5xs-43x-tll
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/sjz-laf-6se
title: Vicia sativa subsp. nigra Ehrh.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/nyz-3js-9x6
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/nzh-5rs-bdm
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/xep-beg-den
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/6xa-t73-dls
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/t3e-k66-n6q
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/8kn-wx1-ehj
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/c72-nlp-rjd
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ekc-xar-84f
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/lkk-pdl-p31
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/396-vqk-bbb
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/za0-rdp-9t9
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/0p0-z47-8fr
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/2a8-507-dka
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/b35-8gn-kwz
title: Vicia sativa subsp. nigra Ehrh.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/bvn-4zh-bfx
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/x5r-n6j-rpk
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/886-2rg-pfq
title: Vicia sativa subsp. sativa

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/kn1-alt-dsz
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/4ww-tqr-7r2
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/8xm-69v-dp8
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/dvd-gwh-067
title: Vicia sativa subsp. sativa

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/4my-pst-t5v
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/qwq-9qz-f7m
title: Vicia sativa subsp. sativa

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/alp-dve-2xy
title: Vicia sativa subsp. sativa

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/cfb-7vk-n8g
title: Vicia sativa subsp. sativa

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ngc-tps-v63
title: Vicia sativa subsp. sativa

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/yrs-1ve-bme
title: Vicia sativa subsp. sativa

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/rcx-s6m-nqj
title: Vicia tetrasperma (L.) Schreb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/w8n-cnn-vmc
title: Vicia sativa subsp. nigra Ehrh.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/8r5-tml-s7a
title: Vicia tetrasperma (L.) Schreb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/e8g-7jy-jpg
title: Vicia tetrasperma (L.) Schreb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/75e-7y1-46h
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/956-tpw-ftm
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/b77-hbq-gsh
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/2xm-wj3-rgm
title: Vicia tetrasperma (L.) Schreb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/nf4-gdv-wgb
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/1my-rkh-09l
title: Vicia tetrasperma (L.) Schreb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/y1v-sfm-5kw
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/0pe-jhm-1w5
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/yf1-80q-5a3
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/e6b-5yq-9ep
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/xms-9mf-b27
title: Vicia tetrasperma (L.) Schreb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/crl-p54-wye
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/2d8-fje-maj
title: Vicia eriocarpa (Hausskn.) Halácsy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/rmc-azj-ps3
title: Vicia sativa subsp. sativa

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/hdz-sa1-60d
title: Vicia sativa subsp. nigra Ehrh.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/5d6-1da-qxk
title: Vicia sativa subsp. nigra Ehrh.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/7by-rb7-sfp
title: Viola hymettia Boiss. & Heldr.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/2xm-z7a-pka
title: Viola hymettia Boiss. & Heldr.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/bj1-lgc-w67
title: Viola hymettia Boiss. & Heldr.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/pz7-zkl-ccx
title: Vicia villosa subsp. varia (Host) Corb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/tsv-35w-qdf
title: Viola kitaibeliana Schult.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/6t6-jms-dda
title: Vicia villosa subsp. varia (Host) Corb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/5yp-1zb-4f8
title: Vicia villosa subsp. varia (Host) Corb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/z91-5q4-k0r
title: Vicia villosa subsp. varia (Host) Corb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/6fx-f0e-zfd
title: Vincetoxicum hirundinaria Medik.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/7br-rp1-bbr
title: Vicia villosa subsp. varia (Host) Corb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/4qd-jbf-cye
title: Viola arvensis Murray

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/b5k-h7q-lzk
title: Viola kitaibeliana Schult.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/554-n8f-v5t
title: Viola arvensis Murray

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/xpl-sj3-c8l
title: Viola kitaibeliana Schult.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/q2m-sb9-03e
title: Viola kitaibeliana Schult.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/7cq-7t3-rxn
title: Viola arvensis Murray

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/q53-s1l-l5v
title: Viola arvensis Murray

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5281/zenodo.15384944
title: Investigating the Volume and Diversity of Data Needed for Generalizable Antibody-Antigen ∆∆G Prediction

description: Synthetic antibody-antigen binding affinity (∆∆G) datasets generated using FoldX and Flex ddG. These datasets are released alongside "Investigating the volume and diversity of data needed for generalizable antibody–antigen ΔΔG prediction" (Nature Computational Science, 2025; DOI 10.1038/s43588-025-00823-8).
description: The files in this Zenodo record are:





FoldX dataset (942723 mutations)



Synthetic_FoldX_ddG_942723.csv: ∆∆G values

synthetic_foldx_ddg_wt_pdbs.tar.gz: PDB files for the wild-type complexes



Flex ddG dataset (20829 mutations)



Synthetic_FlexddG_ddG_20829.csv: ∆∆G values

synthetic_flexddg_ddg_wt_pdbs.tar.gz: PDB files for the wild-type complexes

synthetic_flexddg_ddg_mutated_pdbs.tar.gz: PDB files for the mutant complexes





PDB files for the mutant complexes in the FoldX dataset could not be uploaded here due to size restrictions. These files can be found at https://opig.stats.ox.ac.uk/data/downloads/affinity_dataset/.

 

For more information, please see:

Paper: https://www.nature.com/articles/s43588-025-00823-8

GitHub: https://github.com/oxpig/Graphinity

 

 

References

FoldX: Schymkowitz, J. et al. (2005) The FoldX web server: An online force field. Nucleic Acids Research 33, 382–388.

Flex ddG: Barlow, K. A. et al. (2018) Flex ddG: Rosetta Ensemble-Based Estimation of Changes in Protein-Protein Binding Affinity upon Mutation. Journal of Physical Chemistry B 122, 5389–5399.
description: The csv files contain the following columns.

Synthetic_FoldX_ddG_942723.csv:



pdb: pdb id

complex: in the format {pdb}_{wt_aa}_{chain_id}_{residue_number}_{mut_aa}

ab_chain: antibody chain id(s)

ag_chain: antigen chain id(s)

foldx_ddg: FoldX ddG label (kcal/mol)

wt_foldx_dg: FoldX dG value for the WT complex (kcal/mol)

mut_foldx_dg: FoldX dG value for the mutant complex (kcal/mol)


Synthetic_FlexddG_ddG_20829.csv



pdb: pdb id

complex: in the format {pdb}_{wt_aa}_{chain_id}_{residue_number}_{mut_aa}

ab_chain: antibody chain id(s)

ag_chain: antigen chain id(s)

flexddg_ddg: Flex ddG label (kcal/mol)

flexddg_ddg-talaris2014-gam: Flex ddG prediction using Talaris 2014 energy function with generalized additive model (GAM) reweighting (identical to the flexddg_ddg column; used as the labels in this study; kcal/mol)

flexddg_ddg-talaris2014: Flex ddG prediction using Talaris 2014 energy function without GAM reweighting (kcal/mol)

wt_flexddg_dg-talaris2014: Flex ddG dG value for the WT complex using Talaris 2014 energy function without GAM reweighting (kcal/mol)

mut_flexddg_dg-talaris2014: Flex ddG dG value for the mutant complex using Talaris 2014 energy function without GAM reweighting (kcal/mol)
DOI: 10.5281/zenodo.15384945
title: Investigating the Volume and Diversity of Data Needed for Generalizable Antibody-Antigen ∆∆G Prediction

description: Synthetic antibody-antigen binding affinity (∆∆G) datasets generated using FoldX and Flex ddG. These datasets are released alongside "Investigating the volume and diversity of data needed for generalizable antibody–antigen ΔΔG prediction" (Nature Computational Science, 2025; DOI 10.1038/s43588-025-00823-8).
description: The files in this Zenodo record are:





FoldX dataset (942723 mutations)



Synthetic_FoldX_ddG_942723.csv: ∆∆G values

synthetic_foldx_ddg_wt_pdbs.tar.gz: PDB files for the wild-type complexes



Flex ddG dataset (20829 mutations)



Synthetic_FlexddG_ddG_20829.csv: ∆∆G values

synthetic_flexddg_ddg_wt_pdbs.tar.gz: PDB files for the wild-type complexes

synthetic_flexddg_ddg_mutated_pdbs.tar.gz: PDB files for the mutant complexes





PDB files for the mutant complexes in the FoldX dataset could not be uploaded here due to size restrictions. These files can be found at https://opig.stats.ox.ac.uk/data/downloads/affinity_dataset/.

 

For more information, please see:

Paper: https://www.nature.com/articles/s43588-025-00823-8

GitHub: https://github.com/oxpig/Graphinity

 

 

References

FoldX: Schymkowitz, J. et al. (2005) The FoldX web server: An online force field. Nucleic Acids Research 33, 382–388.

Flex ddG: Barlow, K. A. et al. (2018) Flex ddG: Rosetta Ensemble-Based Estimation of Changes in Protein-Protein Binding Affinity upon Mutation. Journal of Physical Chemistry B 122, 5389–5399.
description: The csv files contain the following columns.

Synthetic_FoldX_ddG_942723.csv:



pdb: pdb id

complex: in the format {pdb}_{wt_aa}_{chain_id}_{residue_number}_{mut_aa}

ab_chain: antibody chain id(s)

ag_chain: antigen chain id(s)

foldx_ddg: FoldX ddG label (kcal/mol)

wt_foldx_dg: FoldX dG value for the WT complex (kcal/mol)

mut_foldx_dg: FoldX dG value for the mutant complex (kcal/mol)


Synthetic_FlexddG_ddG_20829.csv



pdb: pdb id

complex: in the format {pdb}_{wt_aa}_{chain_id}_{residue_number}_{mut_aa}

ab_chain: antibody chain id(s)

ag_chain: antigen chain id(s)

flexddg_ddg: Flex ddG label (kcal/mol)

flexddg_ddg-talaris2014-gam: Flex ddG prediction using Talaris 2014 energy function with generalized additive model (GAM) reweighting (identical to the flexddg_ddg column; used as the labels in this study; kcal/mol)

flexddg_ddg-talaris2014: Flex ddG prediction using Talaris 2014 energy function without GAM reweighting (kcal/mol)

wt_flexddg_dg-talaris2014: Flex ddG dG value for the WT complex using Talaris 2014 energy function without GAM reweighting (kcal/mol)

mut_flexddg_dg-talaris2014: Flex ddG dG value for the mutant complex using Talaris 2014 energy function without GAM reweighting (kcal/mol)
DOI: 10.3535/7n1-2zc-371
title: Viola kitaibeliana Schult.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/qzp-x6e-67f
title: Viola kitaibeliana Schult.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/m5w-z3h-9d8
title: Viola kitaibeliana Schult.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ygl-sde-429
title: Viola arvensis Murray

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.15468/dl.tx5wha
title: Occurrence Download

description: A dataset containing 1559 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Yongeichthys nebulosus (Forsskål, 1775)"
 ]
}

 The dataset includes 1559 records from 67 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0111898-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.