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Training and evaluation data, with the modality, task and licence stated up front. Listed live from the Hugging Face Hub.

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01foundry-ml /dataset_concrete_compressive_strength Machine learning in concrete science: applications, challenges, and best practices Dataset containing concrete compressive strength for 1030 materials Dataset Information Source: Foundry-ML DOI: 10.18126/8k1f-mx77 Year: 2022 Authors: Li, Zhanzhao, Yoon, Jinyoung, Zhang, Rui, Rajabipour, Farshad, Srubar III, Wil V., Dabo, Ismaila, Radlińska, Aleksandra Data Type: tabular Fields Field Role Description Units Cement (component 1)(kg in a m^3… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/dataset_concrete_compressive_strength.tabulartabular-regression1K<n<10K0 likes849 downloads9mo agoHugging Face02NONHUMAN-RESEARCH /hanoi-teleop-foundry-relativeThis dataset was created using LeRobot. Dataset Structure meta/info.json: { "codebase_version": "v3.0", "fps": 30, "features": { "observation.state": { "dtype": "float32", "shape": [ 14 ], "names": [ "left_joint1", "left_joint2", "left_joint3", "left_joint4", "left_joint5", "left_joint6"… See the full description on the dataset page: https://huggingface.co/datasets/NONHUMAN-RESEARCH/hanoi-teleop-foundry-relative.tabularrobotics100K<n<1M0 likes92 downloads10d agoHugging Face03foundry-ml /foundry_osdb_v1-1 Data for: Ab initio control of zeolite synthesis and intergrowth with high-throughput simulations Dataset Information Source: Foundry-ML DOI: 10.18126/c5z9-zej7 Year: 2021 Authors: Schwalbe-Koda, Daniel, Gómez-Bombarelli, Rafael Data Type: tabular Fields Field Role Description Units crystal_id input unique identifier associated with each pose. It is Zeolite input IZA code of the zeolite SMILES input SMILES string of the guest docked in the… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/foundry_osdb_v1-1.tabulartabular-regression100K<n<1M0 likes65 downloads9mo agoHugging Face04foundry-ml /dataset_metallicglass_dmax Metallic Glasses and their Properties Dataset containing experimental max casting diameters of 998 metallic glasses Dataset Information Source: Foundry-ML DOI: 10.18126/fs5e-kr15 Year: 2021 Authors: Voyles, Paul M, Schultz, Lane E., Morgan, Dane, Francis, Carter, Afflerbach, Benjamin, Hakeem, Abdulrhman Data Type: tabular Fields Field Role Description Units Composition input Material composition Reference input Original data reference… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/dataset_metallicglass_dmax.tabulartabular-regressionn<1K0 likes50 downloads9mo agoHugging Face05foundry-ml /dataset_rpv_tts Predictions and uncertainty estimates of reactor pressure vessel steel embrittlement using Machine learning Dataset containing 4535 transition temperature shifts of reactor pressure vessel steels Dataset Information Source: Foundry-ML DOI: 10.18126/3zkm-yd51 Year: 2023 Authors: Jacobs, Ryan, Yamamoto, Takuya, Odette, G. Robert, Morgan, Dane Data Type: tabular Fields Field Role Description Units temperature_C input Temperature of measurement degC… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/dataset_rpv_tts.tabulartabular-regression1K<n<10K0 likes42 downloads9mo agoHugging Face06foundry-ml /dataset_mg_alloy Prediction of mechanical properties of biomedical magnesium alloys based on ensemble machine learning Dataset containing mechanical properties of 365 Mg alloys Dataset Information Source: Foundry-ML DOI: 10.18126/myj4-0h48 Year: 2023 Authors: Hou, Haobing, Wang, Jianfeng, Ye, Li, Zhu, Shijie, Wang, Liguo, Guan, Shaokang Data Type: tabular Fields Field Role Description Units Mg(wt.%) input Amount of Mg wt% Zn(wt.%) input Amount of Zn wt% Y(wt.%)… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/dataset_mg_alloy.tabulartabular-regressionn<1K0 likes38 downloads9mo agoHugging Face07foundry-ml /steel_strength_v1-1 Mechanical properties of some steels Dataset containing compositions and mechanical properties (yield strength, tensile strength, elongation) of 312 steel alloys Dataset Information Source: Foundry-ML DOI: 10.18126/524z-vd6m Year: 2022 Authors: Conduit, Gareth Data Type: tabular Fields Field Role Description Units formula input Steel composition c input C weight percent wt % mn input Mn weight percent wt % si input Si weight percent wt %… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/steel_strength_v1-1.tabulartabular-regressionn<1K0 likes37 downloads9mo agoHugging Face08foundry-ml /dielectric_constant_v1-1 High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials Dataset containing DFT-calculated dielectric properties for 1056 materials Dataset Information Source: Foundry-ML DOI: 10.18126/racd-go9m Year: 2022 Authors: Petousis, Ioannis, Mrdjenovich, David, Ballouz, Eric, Liu, Miao, Winston, Donald, Chen, Wei, Graf, Tanja, Schladt, Thomas D., Persson, Kristin A., Prinz, Fritz B. Data Type: tabular Fields… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/dielectric_constant_v1-1.tabulartabular-regression1K<n<10K0 likes33 downloads9mo agoHugging Face09foundry-ml /elastic_tensor_v1-1 Charting the complete elastic properties of inorganic crystalline compounds Dataset containing DFT-calculated elastic properties for 1181 materials Dataset Information Source: Foundry-ML DOI: 10.18126/9fg1-528u Year: 2022 Authors: de Jong, Maarten, Chen, Wei, Angsten, Thomas, Jain, Anubhav, Notestine, Randy, Gamst, Anthong, Sluiter, Marcel, Ande, Chaitanya Krishna, van der Zwaag, Sybrand, Plata, Jose J., Toher, Cormac, Curtarolo, Stefano, Ceder, Gerbrand, Persson… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/elastic_tensor_v1-1.tabulartabular-regression1K<n<10K0 likes26 downloads9mo agoHugging Face10foundry-ml /semiconductor_defectlevels_v1-1 Machine learning for impurity charge-state transition levels in semiconductors from elemental properties using multi-fidelity datasets Dataset containing DFT-calculated defect charge state transition levels of 2910 semiconductor-impurity pairs Dataset Information Source: Foundry-ML DOI: 10.18126/ite0-3iah Year: 2022 Authors: Polak, Maciej P., Jacobs, Ryan, Mannodi-Kanakkithodi, Arun, Chan, Maria K. Y., Morgan, Dane Data Type: tabular Fields Field… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/semiconductor_defectlevels_v1-1.tabulartabular-regression1K<n<10K0 likes25 downloads9mo agoHugging Face11foundry-ml /dataset_li_conductivity A database of experimentally measured lithium solid electrolyte conductivities evaluated with machine learning Dataset containing experimental solid state Li electrolyte conductivities for 372 materials Dataset Information Source: Foundry-ML DOI: 10.18126/k9tn-3965 Year: 2023 Authors: Hargreaves, Cameron J., Gaultois, Michael W., Daniels, Luke M., Watts, Emma J., Kurlin, Vitaliy A., Moran, Michael, Dang, Yun, Morris, Rhun, Morscher, Alexandra, Thompson, Kate, Wright… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/dataset_li_conductivity.tabulartabular-regressionn<1K0 likes25 downloads9mo agoHugging Face12foundry-ml /foundry_g4mp2_solvation_v1-2 DFT Estimates of Solvation Energy in Multiple Solvents Dataset Information Source: Foundry-ML DOI: 10.18126/jos5-wj65 Year: 2022 Authors: Ward, Logan, Dandu, Naveen, Blaiszik, Ben, Narayanan, Badri, Assary, Rajeev S., Redfern, Paul C., Foster, Ian, Curtiss, Larry A. Data Type: tabular Fields Field Role Description Units smiles_0 input Input SMILES string smiles_1 input SMILES string after relaxation inchi_0 input InChi after generating… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/foundry_g4mp2_solvation_v1-2.tabulartabular-regression100K<n<1M0 likes22 downloads9mo agoHugging Face13foundry-ml /wolverton_oxides_v1-1 High-throughput DFT calculations of formation energy, stability and oxygen vacancy formation energy of ABO3 perovskites Dataset containing DFT-calculated formation energy and convex hull energies of 4914 perovskite oxides Dataset Information Source: Foundry-ML DOI: 10.18126/h15n-7wu8 Year: 2022 Authors: Emery, Antoine, Wolverton, Chris Data Type: tabular Fields Field Role Description Units formula input Material composition atom a input Element… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/wolverton_oxides_v1-1.tabulartabular-regression1K<n<10K0 likes20 downloads9mo agoHugging Face14foundry-ml /piezoelectric_tensor_v1-1 A database to enable discovery and design of piezoelectric materials Dataset containing DFT-calculated piezoelectric properties for 941 materials Dataset Information Source: Foundry-ML DOI: 10.18126/p280-xrvg Year: 2022 Authors: de Jong, Maarten, Chen, Wei, Geerlings, Henry, Asta, Mark, Persson, Kristin A. Data Type: tabular Fields Field Role Description Units material_id input Materials Project ID formula input Material composition nsites… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/piezoelectric_tensor_v1-1.tabulartabular-regressionn<1K0 likes19 downloads9mo agoHugging Face15foundry-ml /dataset_perovskite_asr Critical Assessment of Electronic Structure Descriptors for Predicting Perovskite Catalytic Properties Dataset containing perovskite oxide area specific resistances for 289 materials Dataset Information Source: Foundry-ML DOI: 10.18126/aw1n-3z96 Year: 2023 Authors: Jacobs, Ryan, Liu, Jian, Abernathy, Harry, Morgan, Dane Data Type: tabular Fields Field Role Description Units Material composition input Material composition Material composition… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/dataset_perovskite_asr.tabulartabular-regressionn<1K1 likes19 downloads9mo agoHugging Face16foundry-ml /elwood_md_v1-2 Project Elwood: MD Simulated Monomer Properties Dataset Information Source: Foundry-ML DOI: 10.18126/8p6m-e135 Year: 2022 Authors: Schneider, L, Schwarting, M, Mysona, J, Liang, H, Han, M, Rauscher, P, Ting, J, Venkatram, S, Ross, R, Schmidt, K, Blaiszik, B, Foster, I, de Pablo, J Data Type: tabular Fields Field Role Description Units SMILES input Canonical SMILES string of molecule arb E_coh (MPa) target Simulated cohesive energy (in MPa)… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/elwood_md_v1-2.tabulartabular-regressionn<1K0 likes18 downloads9mo agoHugging Face17foundry-ml /perovskite_opbandcenter_v1-1 Discovery and engineering of low work function perovskite materials Dataset containing DFT-calculated O p-band center energies for 2912 perovskite oxides Dataset Information Source: Foundry-ML DOI: 10.18126/f3p0-2c5f Year: 2022 Authors: Ma, Tianyu, Jacobs, Ryan, Booske, John, Morgan, Dane Data Type: tabular Fields Field Role Description Units Composition with sublattices input Material composition with brackets denoting differ Composition input… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/perovskite_opbandcenter_v1-1.tabulartabular-regression1K<n<10K0 likes18 downloads9mo agoHugging Face18foundry-ml /dataset_metallicglass_rc Machine Learning Prediction of the Critical Cooling Rate for Metallic Glasses from Expanded Datasets and Elemental Features Dataset containing experimental critical cooling rates of 2125 metallic glasses Dataset Information Source: Foundry-ML DOI: 10.18126/rtsj-2e11 Year: 2022 Authors: Afflerbach, Benjamin T., Francis, Carter, Schultz, Lane E., Spethson, Janine, Meschke, Vanessa, Strand, Elliot, Ward, Logan, Perepezko, John H., Thoma, Dan, Voyles, Paul M., Szlufarska… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/dataset_metallicglass_rc.tabulartabular-regression1K<n<10K0 likes17 downloads9mo agoHugging Face19foundry-ml /dataset_perovskite_conductivity Accelerated design and discovery of perovskites with high conductivity for energy applications through machine learning Dataset containing 7230 perovskite conductivity data points Dataset Information Source: Foundry-ML DOI: 10.18126/f1vb-et73 Year: 2021 Authors: Priya, Pikee, Aluru, N. R. Data Type: tabular Fields Field Role Description Units Composition input Material composition Temperature (degC) input Temperature of measurement degC PO2… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/dataset_perovskite_conductivity.tabulartabular-regression1K<n<10K0 likes16 downloads9mo agoHugging Face20foundry-ml /dataset_perovskite_stability_updated Machine Learning Design of Perovskite Catalytic Properties Dataset containing 2844 perovskite stability data points from DFT Dataset Information Source: Foundry-ML DOI: 10.18126/xcye-zy28 Year: 2023 Authors: Jacobs, Ryan, Liu, Jian, Abernathy, Harry, Morgan, Dane Data Type: tabular Fields Field Role Description Units composition input Material composition with sites composition (no brackets) input Material composition O pband (eV) input… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/dataset_perovskite_stability_updated.tabulartabular-regression1K<n<10K1 likes14 downloads9mo agoHugging Face21foundry-ml /heusler_magnetization_v1-1 University of Alabama Heusler database Dataset containing saturation magnetization values of 1153 Heusler compounds Dataset Information Source: Foundry-ML DOI: 10.18126/un63-ohqv Year: 2022 Authors: Borg, Chris Data Type: tabular Fields Field Role Description Units formula input Material composition heusler type input Type of Heusler structure num_electron input Number of electrons in Heusler structure struct type input The structure type… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/heusler_magnetization_v1-1.tabulartabular-regression1K<n<10K0 likes13 downloads9mo agoHugging Face22foundry-ml /dataset_perovskite_habs Machine-Learning Assisted Screening Proton Conducting Co/Fe based Oxide for the Air Electrode of Protonic Solid Oxide Cell Dataset containing 795 perovskite H absorption data points Dataset Information Source: Foundry-ML DOI: 10.18126/zgzt-xr34 Year: 2023 Authors: Wang, Ning, Yuan, Baoyin, Zheng, Fangyuan, Mo, Shanyun, Zhang, Xiaohan, Du, Lei, Xing, Lixin, Meng, Ling, Zhao, Lei, Aoki, Yoshitaka, Tang, Chunmei, Ye, Siyu Data Type: tabular Fields… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/dataset_perovskite_habs.tabulartabular-regressionn<1K0 likes12 downloads9mo agoHugging Face23foundry-ml /foundry_qmc_ml_v1-1 Foundry - Approaching QMC quality energetics throughout chemical space using scalable quantum machine learning This dataset contains summary inputs and outputs generated for the Paper "Approaching QMC quality energetics throughout chemical space using scalable quantum machine learning" By B. Huang, O. Anatole von Lilienfeld, J. T. Krogel and A. Benali. Included in the dataset are energies for 1175 molecules calculated with varying methods, associated error calculations, and… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/foundry_qmc_ml_v1-1.tabulartabular-regression1K<n<10K0 likes11 downloads9mo agoHugging Face24foundry-ml /perovskite_stability_v1-1 Predicting the thermodynamic stability of perovskite oxides using machine learning models Dataset containing DFT-calculated stabilities (as convex hull energies) of 1929 perovskite oxides Dataset Information Source: Foundry-ML DOI: 10.18126/qe5y-2dnz Year: 2022 Authors: Li, Wei, Jacobs, Ryan, Morgan, Dane Data Type: tabular Fields Field Role Description Units Material Composition input Perovskite composition EnergyAboveHull target DFT-calculated… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/perovskite_stability_v1-1.tabulartabular-regression1K<n<10K0 likes11 downloads9mo agoHugging Face25foundry-ml /dataset_perovskite_tec Machine-learning prediction of thermal expansion coefficient for perovskite oxides with experimental validation Dataset containing 137 perovskite thermal expansion coefficients from experiment Dataset Information Source: Foundry-ML DOI: 10.18126/avvr-p174 Year: 2023 Authors: McGuinness, Kevin P., Oliynyk, Anton O., Lee, Sangjoon, Molero-Sanchez, Beatriz, Addo, Paul Kwesi Data Type: tabular Fields Field Role Description Units Composition input… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/dataset_perovskite_tec.tabulartabular-regressionn<1K0 likes10 downloads9mo agoHugging Face26foundry-ml /dataset_metallicglass_rc_llm Extracting Accurate Materials Data from Research Papers with Conversational Language Models and Prompt Engineering Dataset containing LLM-derived experimental critical cooling rates of 297 metallic glasses Dataset Information Source: Foundry-ML DOI: 10.18126/ndyp-yv32 Year: 2024 Authors: Polak, Maciej P., Morgan, Dane Data Type: tabular Fields Field Role Description Units Passage input Text passage LLM found to get data DOI input Original data… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/dataset_metallicglass_rc_llm.tabulartabular-regressionn<1K0 likes10 downloads9mo agoHugging Face

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