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Merge pull request #43 from materials-data-facility/forge-dev
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jgaff authored Jul 15, 2019
2 parents 6572ac5 + 7562f10 commit b09349e
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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -30,5 +30,5 @@ If you find a bug or want a feature, feel free to open an issue here on GitHub (


# Support
This work was performed under financial assistance award 70NANB14H012 from U.S. Department of Commerce, National Institute of Standards and Technology as part of the [Center for Hierarchical Material Design (CHiMaD)](http://chimad.northwestern.edu). This work was also supported by the National Science Foundation as part of the [Midwest Big Data Hub](http://midwestbigdatahub.org) under NSF Award Number: 1636950 "BD Spokes: SPOKE: MIDWEST: Collaborative: Integrative Materials Design (IMaD): Leverage, Innovate, and Disseminate".
This work was performed under financial assistance award 70NANB14H012 from U.S. Department of Commerce, National Institute of Standards and Technology as part of the [Center for Hierarchical Material Design (CHiMaD)](http://chimad.northwestern.edu). This work was performed under the following financial assistance award 70NANB19H005 from U.S. Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Materials Design (CHiMaD). This work was also supported by the National Science Foundation as part of the [Midwest Big Data Hub](http://midwestbigdatahub.org) under NSF Award Number: 1636950 "BD Spokes: SPOKE: MIDWEST: Collaborative: Integrative Materials Design (IMaD): Leverage, Innovate, and Disseminate".

60 changes: 30 additions & 30 deletions docs/examples/Example_Statistics-MDF_Datasets.ipynb
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"name": "stderr",
"output_type": "stream",
"text": [
"100%|██████████| 259/259 [02:55<00:00, 1.48it/s]\n"
"100%|██████████| 373/373 [03:21<00:00, 1.85it/s]\n"
]
}
],
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"# Now, let's pull out the source_name, title, and number of records for each dataset.\n",
"mdf_resources = []\n",
"for r in tqdm(res):\n",
" q = \"mdf.parent_id:\" + r[\"mdf\"][\"mdf_id\"]\n",
" q = \"mdf.resource_type:record AND mdf.source_name:\" + r[\"mdf\"][\"source_name\"]\n",
" x, info = mdf.search(q, advanced=True, info=True, limit=0)\n",
" mdf_resources.append((r['mdf']['source_name'], r['dc'][\"titles\"][0]['title'], info[\"total_query_matches\"]))\n",
"df = pd.DataFrame(mdf_resources, columns=['source_name', 'title', 'num_records'])"
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"name": "stdout",
"output_type": "stream",
"text": [
"Number of data resources: 259\n"
"Number of data resources: 373\n"
]
},
{
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" </thead>\n",
" <tbody>\n",
" <tr>\n",
" <th>372</th>\n",
" <td>sstein_stein_bandgap_2019</td>\n",
" <td>Machine learning of optical properties of mate...</td>\n",
" <td>478111</td>\n",
" </tr>\n",
" <tr>\n",
" <th>78</th>\n",
" <td>oqmd</td>\n",
" <td>The Open Quantum Materials Database</td>\n",
" <td>395348</td>\n",
" </tr>\n",
" <tr>\n",
" <th>167</th>\n",
" <th>338</th>\n",
" <td>stein_bandgap_2019</td>\n",
" <td>Machine learning of optical properties of mate...</td>\n",
" <td>180900</td>\n",
Expand All @@ -121,7 +127,7 @@
" <td>31488</td>\n",
" </tr>\n",
" <tr>\n",
" <th>82</th>\n",
" <th>249</th>\n",
" <td>nist_xps_db</td>\n",
" <td>NIST X-ray Photoelectron Spectroscopy Database</td>\n",
" <td>29189</td>\n",
Expand All @@ -139,7 +145,7 @@
" <td>19842</td>\n",
" </tr>\n",
" <tr>\n",
" <th>163</th>\n",
" <th>330</th>\n",
" <td>w_14</td>\n",
" <td>Accuracy and transferability of Gaussian appro...</td>\n",
" <td>9693</td>\n",
Expand All @@ -151,7 +157,7 @@
" <td>3783</td>\n",
" </tr>\n",
" <tr>\n",
" <th>79</th>\n",
" <th>246</th>\n",
" <td>cip</td>\n",
" <td>Evaluation and comparison of classical interat...</td>\n",
" <td>3291</td>\n",
Expand All @@ -163,7 +169,7 @@
" <td>1618</td>\n",
" </tr>\n",
" <tr>\n",
" <th>164</th>\n",
" <th>331</th>\n",
" <td>surface_crystal_energy</td>\n",
" <td>Data from: Surface energies of elemental crystals</td>\n",
" <td>1216</td>\n",
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" <td>1073</td>\n",
" </tr>\n",
" <tr>\n",
" <th>160</th>\n",
" <th>327</th>\n",
" <td>mdr_item_1496</td>\n",
" <td>Ultrahigh Carbon Steel Micrographs</td>\n",
" <td>1007</td>\n",
" </tr>\n",
" <tr>\n",
" <th>36</th>\n",
" <td>mdr_item_1378</td>\n",
" <td>Fitting database entries for a modified embedd...</td>\n",
" <td>707</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
"</div>"
],
"text/plain": [
" source_name \\\n",
"372 sstein_stein_bandgap_2019 \n",
"78 oqmd \n",
"167 stein_bandgap_2019 \n",
"338 stein_bandgap_2019 \n",
"75 h2o_13 \n",
"74 ab_initio_solute_database \n",
"82 nist_xps_db \n",
"249 nist_xps_db \n",
"4 jarvis \n",
"6 amcs \n",
"163 w_14 \n",
"330 w_14 \n",
"76 bfcc13 \n",
"79 cip \n",
"246 cip \n",
"2 sluschi \n",
"164 surface_crystal_energy \n",
"331 surface_crystal_energy \n",
"5 khazana_polymer \n",
"160 mdr_item_1496 \n",
"36 mdr_item_1378 \n",
"327 mdr_item_1496 \n",
"\n",
" title num_records \n",
"372 Machine learning of optical properties of mate... 478111 \n",
"78 The Open Quantum Materials Database 395348 \n",
"167 Machine learning of optical properties of mate... 180900 \n",
"338 Machine learning of optical properties of mate... 180900 \n",
"75 Machine-learning approach for one- and two-bod... 45482 \n",
"74 High-throughput Ab-initio Dilute Solute Diffus... 31488 \n",
"82 NIST X-ray Photoelectron Spectroscopy Database 29189 \n",
"249 NIST X-ray Photoelectron Spectroscopy Database 29189 \n",
"4 JARVIS - Joint Automated Repository for Variou... 26559 \n",
"6 The American Mineralogist Crystal Structure Da... 19842 \n",
"163 Accuracy and transferability of Gaussian appro... 9693 \n",
"330 Accuracy and transferability of Gaussian appro... 9693 \n",
"76 Cluster expansion made easy with Bayesian comp... 3783 \n",
"79 Evaluation and comparison of classical interat... 3291 \n",
"246 Evaluation and comparison of classical interat... 3291 \n",
"2 Solid and Liquid in Ultra Small Coexistence wi... 1618 \n",
"164 Data from: Surface energies of elemental crystals 1216 \n",
"331 Data from: Surface energies of elemental crystals 1216 \n",
"5 Khazana (Polymer) 1073 \n",
"160 Ultrahigh Carbon Steel Micrographs 1007 \n",
"36 Fitting database entries for a modified embedd... 707 "
"327 Ultrahigh Carbon Steel Micrographs 1007 "
]
},
"execution_count": 4,
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{
"data": {
"text/plain": [
"752831"
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"execution_count": 5,
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