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View article: Seed-mediated AuNR Synthesis Extraction with GPT-3
Seed-mediated AuNR Synthesis Extraction with GPT-3 Open
The files were used as follows: Training sets for fine-tuning GPT-3 to extract structured seed-mediated AuNR growth procedures from unstructured text: aunr_synth_v6_ucfx_static_0_240_0_corrected_publishable.json Predictions and corrected p…
View article: Seed-mediated AuNR Synthesis Extraction with GPT-3
Seed-mediated AuNR Synthesis Extraction with GPT-3 Open
The files were used as follows: Training sets for fine-tuning GPT-3 to extract structured seed-mediated AuNR growth procedures from unstructured text: aunr_synth_v6_ucfx_static_0_240_0_corrected_publishable.json Predictions and corrected p…
View article: LoRA weights for Llama-2 NERRE
LoRA weights for Llama-2 NERRE Open
Low rank adaptation fine-tuned weights for Llama 2 experiments for simultaneously extracting named entities and their relationships in structured format, with results shown in the paper "*Structured information extraction from scientific t…
View article: Seed-mediated AuNR Synthesis Extraction with GPT-3
Seed-mediated AuNR Synthesis Extraction with GPT-3 Open
The files were used as follows: Empty synthesis template: clean_template_formatted.json Training sets for fine-tuning GPT-3 to extract structured seed-mediated AuNR growth procedures from unstructured text: aunr_synth_v6_ucfx_static_0_240_…
View article: NER Datasets DOIs and Entities (Doping and AuNP)
NER Datasets DOIs and Entities (Doping and AuNP) Open
JSONs containing DOIs, paragraph numbers, and annotated entities included in the doping and gold nanoparticle NER datasets.
View article: Tholander Nitrides
Tholander Nitrides Open
A challenging data set for quantum machine learning containing a diverse set of 12.8k polymorphs in the Zn-Ti-N, Zn-Zr-N and Zn-Hf-N chemical systems. The phase diagrams of the Ti-Zn-N, Zr-Zn-N, and Hf-Zn-N systems are determined using lar…
View article: Seed-mediated AuNR Synthesis Extraction with GPT-3
Seed-mediated AuNR Synthesis Extraction with GPT-3 Open
The files were used as follows: Training sets for fine-tuning GPT-3 to extract structured seed-mediated AuNR growth procedures from unstructured text: aunr_synth_v6_ucfx_static_0_240_0_corrected_publishable.json aunr_synth_v6_ucfx_dynamic_…
View article: NER Datasets DOIs and Entities (Doping and AuNP)
NER Datasets DOIs and Entities (Doping and AuNP) Open
JSONs containing DOIs, paragraph numbers, and annotated entities included in the doping and gold nanoparticle NER datasets.
View article: ucsb thermoelectrics
ucsb thermoelectrics Open
Database of ~1,100 experimental thermoelectric materials from UCSB aggregated from 108 source publications and personal communications. Downloaded from Citrine. Source UCSB webpage is http://www.mrl.ucsb.edu:8080/datamine/thermoelectric.js…
View article: ricci_boltztrap_mp_tabular
ricci_boltztrap_mp_tabular Open
Ab-initio electronic transport database for inorganic materials. Complex multivariable BoltzTraP simulation data is condensed down into tabular form of two main motifs: average eigenvalues at set moderate carrier concentrations and tempera…
View article: NER Datasets DOIs
NER Datasets DOIs Open
Lists of DOIs included in the doping and gold nanoparticle datasets.
View article: superconductors2018
superconductors2018 Open
Dataset of ~16,000 superconductivity records from Stanev et al., originally from the Japanese National Institute for Materials Science. No modifications were made to the core dataset, aside from basic file type change to json for (un)packa…
View article: expt_gap_kingsbury
expt_gap_kingsbury Open
Identical to the matbench_expt_gap dataset, except that Materials Project database IDs (mp-ids) have been associated with each material using the same method as described for the expt_formation_enthalpy_kingsbury dataset. Columns have also…
View article: NER Datasets DOIs and Entities (Doping and AuNP)
NER Datasets DOIs and Entities (Doping and AuNP) Open
JSONs containing DOIs, paragraph numbers, and annotated entities included in the doping and gold nanoparticle NER datasets.
View article: perovskites
perovskites Open
Matbench v0.1 test dataset for predicting formation energy from crystal structure. Adapted from an original dataset generated by Castelli et al.
View article: mp_is_metal
mp_is_metal Open
Matbench v0.1 test dataset for predicting DFT metallicity from structure. Adapted from Materials Project database. Removed entries having a formation energy (or energy above the convex hull) more than 150meV and those containing noble gase…
View article: expt_gap
expt_gap Open
Matbench v0.1 test dataset for predicting experimental band gap from composition alone. Retrieved from Zhuo et al. supplementary information. Deduplicated according to composition, removing compositions with reported band gaps spanning mor…
View article: mp_e_form
mp_e_form Open
Matbench v0.1 test dataset for predicting DFT formation energy from structure. Adapted from Materials Project database. Removed entries having formation energy more than 3.0eV and those containing noble gases. Retrieved April 2, 2019.
View article: perovskites
perovskites Open
Matbench v0.1 test dataset for predicting formation energy from crystal structure. Adapted from an original dataset generated by Castelli et al.
View article: mp_gap
mp_gap Open
Matbench v0.1 test dataset for predicting DFT PBE band gap from structure. Adapted from Materials Project database. Removed entries having a formation energy (or energy above the convex hull) more than 150meV and those containing noble gas…
View article: jdft2d
jdft2d Open
Matbench v0.1 test dataset for predicting exfoliation energies from crystal structure (computed with the OptB88vdW and TBmBJ functionals). Adapted from the JARVIS DFT database.
View article: steels
steels Open
Matbench v0.1 dataset for predicting steel yield strengths from chemical composition alone. Retrieved from Citrine informatics. Deduplicated.
View article: dielectric
dielectric Open
Matbench v0.1 test dataset for predicting refractive index from structure. Adapted from Materials Project database. Removed entries having a formation energy (or energy above the convex hull) more than 150meV and those having refractive in…
View article: log_kvrh
log_kvrh Open
Matbench v0.1 test dataset for predicting DFT log10 VRH-average bulk modulus from structure. Adapted from Materials Project database. Removed entries having a formation energy (or energy above the convex hull) more than 150meV and those ha…
View article: log_gvrh
log_gvrh Open
Matbench v0.1 test dataset for predicting DFT log10 VRH-average shear modulus from structure. Adapted from Materials Project database. Removed entries having a formation energy (or energy above the convex hull) more than 150meV and those h…
View article: glass
glass Open
Matbench v0.1 test dataset for predicting full bulk metallic glass formation ability from chemical formula. Retrieved from \"Nonequilibrium Phase Diagrams of Ternary Amorphous Alloys,\u2019 a volume of the Landolt\u2013 B\u00f6rnstein coll…
View article: phonons
phonons Open
Matbench v0.1 test dataset for predicting vibration properties from crystal structure. Original data retrieved from Petretto et al. Original calculations done via ABINIT in the harmonic approximation based on density functional perturbatio…
View article: expt_is_metal
expt_is_metal Open
Matbench v0.1 test dataset for classifying metallicity from composition alone. Retrieved from Zhuo et al. supplementary information. Deduplicated according to composition, ensuring no conflicting reports were entered for any compositions (…
View article: Glass Ternary High Throughput Data
Glass Ternary High Throughput Data Open
Metallic glass formation dataset for ternary alloys, collected from the high-throughput sputtering experiments measuring whether it is possible to form a glass using sputtering.The hipt experimental data are of the Co-Fe-Zr, Co-Ti-Zr, Co-V…
View article: Double Perovskites Gap Data
Double Perovskites Gap Data Open
Band gap of 1306 double perovskites (a_1-b_1-a_2-b_2-O6) calculated using Gritsenko, van Leeuwen, van Lenthe and Baerends potential (gllbsc) in GPAW. Collected here for prediction of material band gap and comparison to work done by Pilania…