Develop (#288)

* Image augmentation. * Augment images. * Augment images. * Specie update. * Add Latt2D, STM image (b-1) fix, image augmentation fix. * Add Latt2D, STM image (b-1) fix, image augmentation fix. * Update conf.py * Update conf.py * Multi-output graph bacthing. * Add EDOS dataset. * Temp. * Add circuit maker. * Add circuit maker. * NELECT update. * Version update, more DBs added. * Fix CHGCAR vasp. * Added volumetric reshape for CHGCAR. * Tmp * Tershoff Hamman update, specie update. * Add crop from center in STM. * Add Fourier transfor in STM. * Update STM pytest. * Add DPI to STM. * Zeo++ added, Atoms cif update, STM update, random vacancy maker added. * Atoms tempfile fix, Potcar from atoms module added. * Test for docs. * C2DB link update, docs Atoms update. * C2DB link update, docs Atoms update. * Version update, COD DB, QM9 JCTC DB added. * Compostion bug fix, elemental descriptor added. * Develop (#186) * Update outputs.py I added the calculation of the Raman intensities inside parse_raman_dat * Update outputs.py * Update outputs.py * Update outputs.py * Update cfid.py * Delete __init__.py * stylecss added. * stylecss added. * Adding extra Makefile/ * Remove examples from docs. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Tutorials update. * Tutorials docs update. * Docs update,pdb reader updated. * Update action_build.yml * Update action_build.yml * Remove pytraj strong dependencies. * Update docs, Added PDBBind and HPOV datasets. * Docs update. * Add thcikness to surface builder. * Surface builder update, Chemical only magpie descriptors added, pdb_core dataset added, zeopp tempfile bugfix. * Typo fix. * Add names to chem descs. * Lessen hermsolver pytest. * Reduced pytest. * Reduced pytest. * Reduced pytest. * Reduced pytest. * Reduced pytest. * No DFT3D * Exclude dft_3d dataset for memory issue. * Update figshare test. * Update figshare test. * Exclude db from coverage. * Exclude db from coverage. * Add magpie.json. * Add magpie.json. * Wien2k bands bug fix. * Wien2k bands bug fix. * Update JARVIS-FF,Elastictensor,LAMMPS parse folder, VASP bandstructure plot code. * JFF update. * Add JQE_TB3 and hMOF dataset. * Update LAMMPS module. * Update LAMMPS module. * Fix elastic tensor module. * Figshare update, docs db name update. * Substitutions. * Update figshare dft_3d, cfid_3d. * Docs data update. * Generate substitutions. * Lint fix. * Update DOS. * Update DOS. * Adding folders for nexus setup. * Update QMOF and hMOF info. * Fixing auto klength error. * Adding zeopp surface area. * Vacancy bug fix, added hmof to docs. * vacancy update. * QE inputs update. * Pyhon 3.9 test, added QE el-ph, VASP XANES, modified hmof db details. * Update Contribution.rst * Minor lint fix. * Update action_build.yml * Update action_build.yml * Fix qiskit requirements. * Fix phonopy requirements. * Fix all requirements. * Fix phonopy requirements. * QE test. * QE test. * Update action_build. * Try other python versions. * Try other python versions. * README updates. * Adding nexus. (#197) * Develop (#196) * Image augmentation. * Augment images. * Augment images. * Specie update. * Add Latt2D, STM image (b-1) fix, image augmentation fix. * Add Latt2D, STM image (b-1) fix, image augmentation fix. * Update conf.py * Update conf.py * Multi-output graph bacthing. * Add EDOS dataset. * Temp. * Add circuit maker. * Add circuit maker. * NELECT update. * Version update, more DBs added. * Fix CHGCAR vasp. * Added volumetric reshape for CHGCAR. * Tmp * Tershoff Hamman update, specie update. * Add crop from center in STM. * Add Fourier transfor in STM. * Update STM pytest. * Add DPI to STM. * Zeo++ added, Atoms cif update, STM update, random vacancy maker added. * Atoms tempfile fix, Potcar from atoms module added. * Test for docs. * C2DB link update, docs Atoms update. * C2DB link update, docs Atoms update. * Version update, COD DB, QM9 JCTC DB added. * Compostion bug fix, elemental descriptor added. * Develop (#186) * Update outputs.py I added the calculation of the Raman intensities inside parse_raman_dat * Update outputs.py * Update outputs.py * Update outputs.py * Update cfid.py * Delete __init__.py * stylecss added. * stylecss added. * Adding extra Makefile/ * Remove examples from docs. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Tutorials update. * Tutorials docs update. * Docs update,pdb reader updated. * Update action_build.yml * Update action_build.yml * Remove pytraj strong dependencies. * Update docs, Added PDBBind and HPOV datasets. * Docs update. * Add thcikness to surface builder. * Surface builder update, Chemical only magpie descriptors added, pdb_core dataset added, zeopp tempfile bugfix. * Typo fix. * Add names to chem descs. * Lessen hermsolver pytest. * Reduced pytest. * Reduced pytest. * Reduced pytest. * Reduced pytest. * Reduced pytest. * No DFT3D * Exclude dft_3d dataset for memory issue. * Update figshare test. * Update figshare test. * Exclude db from coverage. * Exclude db from coverage. * Add magpie.json. * Add magpie.json. * Wien2k bands bug fix. * Wien2k bands bug fix. * Update JARVIS-FF,Elastictensor,LAMMPS parse folder, VASP bandstructure plot code. * JFF update. * Add JQE_TB3 and hMOF dataset. * Update LAMMPS module. * Update LAMMPS module. * Fix elastic tensor module. * Figshare update, docs db name update. * Substitutions. * Update figshare dft_3d, cfid_3d. * Docs data update. * Generate substitutions. * Lint fix. * Update DOS. * Update DOS. Co-authored-by: tavazza <[email protected]> Co-authored-by: knc6 <[email protected]> Co-authored-by: KAMAL CHOUDHARY <[email protected]> * First input. * added black * Example folder. Co-authored-by: Kamal Choudhary <[email protected]> Co-authored-by: tavazza <[email protected]> Co-authored-by: knc6 <[email protected]> Co-authored-by: KAMAL CHOUDHARY <[email protected]> * Revert back. * Update .readthedocs.yaml * Update dev-requirements.txt * Docs requirements update. * Update .readthedocs.yaml * Update requirements.txt * Update .readthedocs.yaml * Update requirements.txt * Update .readthedocs.yaml * Update requirements.txt * Update requirements.txt * Update requirements.txt * Update requirements.txt * Update requirements.txt * Update atoms.py * Fixe pbc in ase_to_Atoms. * Add installation tests (#214) * QE inputs, XANES, GHAction updates. (#210) * Image augmentation. * Augment images. * Augment images. * Specie update. * Add Latt2D, STM image (b-1) fix, image augmentation fix. * Add Latt2D, STM image (b-1) fix, image augmentation fix. * Update conf.py * Update conf.py * Multi-output graph bacthing. * Add EDOS dataset. * Temp. * Add circuit maker. * Add circuit maker. * NELECT update. * Version update, more DBs added. * Fix CHGCAR vasp. * Added volumetric reshape for CHGCAR. * Tmp * Tershoff Hamman update, specie update. * Add crop from center in STM. * Add Fourier transfor in STM. * Update STM pytest. * Add DPI to STM. * Zeo++ added, Atoms cif update, STM update, random vacancy maker added. * Atoms tempfile fix, Potcar from atoms module added. * Test for docs. * C2DB link update, docs Atoms update. * C2DB link update, docs Atoms update. * Version update, COD DB, QM9 JCTC DB added. * Compostion bug fix, elemental descriptor added. * Develop (#186) * Update outputs.py I added the calculation of the Raman intensities inside parse_raman_dat * Update outputs.py * Update outputs.py * Update outputs.py * Update cfid.py * Delete __init__.py * stylecss added. * stylecss added. * Adding extra Makefile/ * Remove examples from docs. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Tutorials update. * Tutorials docs update. * Docs update,pdb reader updated. * Update action_build.yml * Update action_build.yml * Remove pytraj strong dependencies. * Update docs, Added PDBBind and HPOV datasets. * Docs update. * Add thcikness to surface builder. * Surface builder update, Chemical only magpie descriptors added, pdb_core dataset added, zeopp tempfile bugfix. * Typo fix. * Add names to chem descs. * Lessen hermsolver pytest. * Reduced pytest. * Reduced pytest. * Reduced pytest. * Reduced pytest. * Reduced pytest. * No DFT3D * Exclude dft_3d dataset for memory issue. * Update figshare test. * Update figshare test. * Exclude db from coverage. * Exclude db from coverage. * Add magpie.json. * Add magpie.json. * Wien2k bands bug fix. * Wien2k bands bug fix. * Update JARVIS-FF,Elastictensor,LAMMPS parse folder, VASP bandstructure plot code. * JFF update. * Add JQE_TB3 and hMOF dataset. * Update LAMMPS module. * Update LAMMPS module. * Fix elastic tensor module. * Figshare update, docs db name update. * Substitutions. * Update figshare dft_3d, cfid_3d. * Docs data update. * Generate substitutions. * Lint fix. * Update DOS. * Update DOS. * Adding folders for nexus setup. * Update QMOF and hMOF info. * Fixing auto klength error. * Adding zeopp surface area. * Vacancy bug fix, added hmof to docs. * vacancy update. * QE inputs update. * Pyhon 3.9 test, added QE el-ph, VASP XANES, modified hmof db details. * Update Contribution.rst * Minor lint fix. * Update action_build.yml * Update action_build.yml * Fix qiskit requirements. * Fix phonopy requirements. * Fix all requirements. * Fix phonopy requirements. * QE test. * QE test. * Update action_build. * Try other python versions. * Try other python versions. * README updates. * Adding nexus. (#197) * Develop (#196) * Image augmentation. * Augment images. * Augment images. * Specie update. * Add Latt2D, STM image (b-1) fix, image augmentation fix. * Add Latt2D, STM image (b-1) fix, image augmentation fix. * Update conf.py * Update conf.py * Multi-output graph bacthing. * Add EDOS dataset. * Temp. * Add circuit maker. * Add circuit maker. * NELECT update. * Version update, more DBs added. * Fix CHGCAR vasp. * Added volumetric reshape for CHGCAR. * Tmp * Tershoff Hamman update, specie update. * Add crop from center in STM. * Add Fourier transfor in STM. * Update STM pytest. * Add DPI to STM. * Zeo++ added, Atoms cif update, STM update, random vacancy maker added. * Atoms tempfile fix, Potcar from atoms module added. * Test for docs. * C2DB link update, docs Atoms update. * C2DB link update, docs Atoms update. * Version update, COD DB, QM9 JCTC DB added. * Compostion bug fix, elemental descriptor added. * Develop (#186) * Update outputs.py I added the calculation of the Raman intensities inside parse_raman_dat * Update outputs.py * Update outputs.py * Update outputs.py * Update cfid.py * Delete __init__.py * stylecss added. * stylecss added. * Adding extra Makefile/ * Remove examples from docs. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Tutorials update. * Tutorials docs update. * Docs update,pdb reader updated. * Update action_build.yml * Update action_build.yml * Remove pytraj strong dependencies. * Update docs, Added PDBBind and HPOV datasets. * Docs update. * Add thcikness to surface builder. * Surface builder update, Chemical only magpie descriptors added, pdb_core dataset added, zeopp tempfile bugfix. * Typo fix. * Add names to chem descs. * Lessen hermsolver pytest. * Reduced pytest. * Reduced pytest. * Reduced pytest. * Reduced pytest. * Reduced pytest. * No DFT3D * Exclude dft_3d dataset for memory issue. * Update figshare test. * Update figshare test. * Exclude db from coverage. * Exclude db from coverage. * Add magpie.json. * Add magpie.json. * Wien2k bands bug fix. * Wien2k bands bug fix. * Update JARVIS-FF,Elastictensor,LAMMPS parse folder, VASP bandstructure plot code. * JFF update. * Add JQE_TB3 and hMOF dataset. * Update LAMMPS module. * Update LAMMPS module. * Fix elastic tensor module. * Figshare update, docs db name update. * Substitutions. * Update figshare dft_3d, cfid_3d. * Docs data update. * Generate substitutions. * Lint fix. * Update DOS. * Update DOS. Co-authored-by: tavazza <[email protected]> Co-authored-by: knc6 <[email protected]> Co-authored-by: KAMAL CHOUDHARY <[email protected]> * First input. * added black * Example folder. Co-authored-by: Kamal Choudhary <[email protected]> Co-authored-by: tavazza <[email protected]> Co-authored-by: knc6 <[email protected]> Co-authored-by: KAMAL CHOUDHARY <[email protected]> * Revert back. * Update .readthedocs.yaml * Update dev-requirements.txt * Docs requirements update. * Update .readthedocs.yaml * Update requirements.txt * Update .readthedocs.yaml * Update requirements.txt * Update .readthedocs.yaml * Update requirements.txt * Update requirements.txt * Update requirements.txt * Update requirements.txt * Update requirements.txt * Update atoms.py * Fixe pbc in ase_to_Atoms. Co-authored-by: tavazza <[email protected]> Co-authored-by: knc6 <[email protected]> Co-authored-by: KAMAL CHOUDHARY <[email protected]> Co-authored-by: wines1 <[email protected]> * Add installation tests * Fix codestyle * Fix codestyle with black * Add docstrings * Fix pydocstyle error * Update __init__.py * Update __init__.py Co-authored-by: Kamal Choudhary <[email protected]> Co-authored-by: tavazza <[email protected]> Co-authored-by: knc6 <[email protected]> Co-authored-by: KAMAL CHOUDHARY <[email protected]> Co-authored-by: wines1 <[email protected]> * Adding QE super. * Minor changes to QE module, atoms xyz fix. * Adding qe_tb info, and version update. * Update __init__.py * WIP super QE. * Working version of ScSi. * QE inputs and task update. * Add master super. * Add master super. * Lint fix. * Lint fix. * Minor fix. * ET update. * Fix ET test. * Update sanitize atoms. * Additonal checks on supercond. * Debye bug fix. * Pressure in QE Super. * Version fix, publication update, supercond workflow update. * Lint fix. * Tensorboard fix. * Tensorboard fix. * Tensorboard fix. * Melting temp fix. * Update vasp.py (#234) * Local tetra tmp. * Version update. * Lint fix. * HSE06 * Tmp. * Vacancy update, Optimade structureand other minor lint updates. * STEM pytest fix. * Minor lint fix. * Fixed selectrive dynamics issue in Poscar, force reading for single atom system in Vasprun, np.array in core.graps, num_atoms for single atom systems in core.Atoms * Lint fix. * Added phononDos class. * fix pytorch UserWarning in build_undirected_edgedata() (#243) site-packages/jarvis/core/graphs.py:158: UserWarning: Creating a tensor from a list of numpy.ndarrays is extremely slow. Please consider converting the list to a single numpy.ndarray with numpy.array() before converting to a tensor. r = torch.tensor(r).type(torch.get_default_dtype()) * Add PhaseDiagram. * Add PhaseDiagram. * PhaseDiagram update. * STM image pytest increase, requirements upgrade. * STM image pytest increase, requirements upgrade. * STM image pytest increase, requirements upgrade. * Compare atoms, get spg info directly from atoms. * Flake8 fix. * Update publications.rst * Update qiskit. * Update qiskit. * Update test_hermsolver.py * FIix qiskit DOS. * Update test_hermsolver.py * Fix linting. * Develop og (#257) * Added isotope scattering rate to phonon DOS analysis script. * Linting fix. * Linting fix. * Linting fix. * Add QE convergence. * Update converg.py. * Nexus. * Super with converg. * Super with converg. * SuperCon QE update. * Figshare DB update. * Figshare DB update. * Update alignn ff link. * Lint fix. * DB docs update. * Minor fixes: delete agg in figshare, add destination path in figshare data, dtype compatibility with new numpy. * Lint fix. * Supercon workflow fix. * Add extra db entires, fix chem in cfid_chem. * Version update. * Add figshare datasets. * Update databases.rst * codecov fix. * Version update. * Lint fix. --------- Co-authored-by: tavazza <[email protected]> Co-authored-by: knc6 <[email protected]> Co-authored-by: KAMAL CHOUDHARY <[email protected]> Co-authored-by: wines1 <[email protected]> Co-authored-by: Saurav Maheshkar <[email protected]> Co-authored-by: Janosh Riebesell <[email protected]> Co-authored-by: Ramya Gurunathan <[email protected]>
usnistgov · May 29, 2023 · 7807e8f · 7807e8f
1 parent 93fef04
commit 7807e8f
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Showing 6 changed files with 133 additions and 6 deletions.
diff --git a/dev-requirements.txt b/dev-requirements.txt
@@ -15,7 +15,7 @@ cffi==1.15.0
 charset-normalizer==2.0.9
 cif2cell==2.0.0a3
 click==8.0.3
-codecov==2.1.12
+codecov==2.1.13
 coverage==6.2
 cryptography==36.0.1
 cycler==0.11.0
@@ -149,4 +149,4 @@ Werkzeug==2.0.2
 wrapt==1.13.3
 xmltodict==0.12.0
 yfinance==0.1.67
-zipp==3.6.0
+zipp==3.6.0
diff --git a/docs/requirements.txt b/docs/requirements.txt
@@ -16,7 +16,7 @@ cffi==1.15.0
 charset-normalizer==2.0.9
 cif2cell==2.0.0a3
 click==8.0.3
-codecov==2.1.12
+codecov==2.1.13
 coverage==6.2
 cryptography==36.0.1
 cycler==0.11.0
@@ -151,4 +151,4 @@ Werkzeug==2.0.2
 wrapt==1.13.3
 xmltodict==0.12.0
 yfinance==0.1.67
-zipp==3.6.0
+zipp==3.6.0
diff --git a/docs/source/databases.rst b/docs/source/databases.rst
@@ -45,6 +45,18 @@ Database name            Number of data-points       Description
 ``qmof``                 20425                       Bandgaps and total energies of metal organic frameowrks
                                                      in QMOF database
 ``hmof``                 137651                      Hypothetical MOF database
+``snumat``               10481                       Bandgaps with hybrid functional 
+``arXiv``                12500                       arXiv dataset 1.8 million title, abstract and id dataset
+``ssub``                 1726                        SSUB formation energy for chemical formula dataset
+``mlearn``               1730                        Machine learning force-field for elements datasets
+``ocp10k``               59886                       Open Catalyst 10000 training, rest validation and test dataset
+``ocp100k``              149886                      Open Catalyst 100000 training, rest validation and test dataset
+``ocp_all``              510214                      Open Catalyst 460328 training, rest validation and test dataset
+``tinnet_N``             329                         TinNet Nitrogen catalyst dataset
+``tinnet_O``             747                         TinNet Oxygen catalyst dataset
+``tinnet_OH``            748                         TinNet OH group catalyst dataset
+``supercon_3d``          1058                        3D superconductor DFT dataset
+``supercon_2d``          161                         2D superconductor DFT dataset
 ``cfid_3d``              55723                       Various 3D materials properties in JARVIS-DFT database  
                                                      computed with OptB88vdW and TBmBJ methods with CFID             
 ``raw_files``            144895                      Figshare links to download raw calculations VASP files

diff --git a/jarvis/__init__.py b/jarvis/__init__.py
@@ -1,5 +1,5 @@
 """Version number."""
-__version__ = "2023.04.06"
+__version__ = "2023.05.26"
 
 import os
 

diff --git a/jarvis/db/figshare.py b/jarvis/db/figshare.py
@@ -256,6 +256,121 @@ def get_db_info():
             "Obtaining CORD19 dataset 223k...",
             "https://github.com/usnistgov/cord19-cdcs-nist",
         ],
+        # https://doi.org/10.6084/m9.figshare.22583677
+        "ssub": [
+            "https://figshare.com/ndownloader/files/40084921",
+            "ssub.json",
+            "Obtaining SSUB dataset 1726...",
+            "https://github.com/wolverton-research-group/qmpy",
+        ],
+        # https://doi.org/10.6084/m9.figshare.22721047
+        "mlearn": [
+            "https://figshare.com/ndownloader/files/40424156",
+            "mlearn.json",
+            "Obtaining mlearn dataset 1730...",
+            "https://github.com/materialsvirtuallab/mlearn",
+        ],
+        # https://doi.org/10.6084/m9.figshare.22814318
+        "foundry_ml_exp_bandgaps": [
+            "https://figshare.com/ndownloader/files/40557743",
+            "foundry_ml_exp_bandgaps.json",
+            "Obtaining foundry_ml_exp_bandgaps dataset 2069...",
+            "https://foundry-ml.org/#/datasets/10.18126/wg3u-g8vu",
+        ],
+        # ToFix# https://doi.org/10.6084/m9.figshare.22815926
+        # "mat_scholar_ner": [
+        #    "https://figshare.com/ndownloader/files/40563593",
+        #    "mat_scholar_ner.json",
+        #    "Obtaining mat_scholar_ner dataset XYZ...",
+        #    "https://pubs.acs.org/doi/10.1021/acs.jcim.9b00470",
+        # ],
+        # https://doi.org/10.6084/m9.figshare.22817633
+        # Contains repeats
+        "ocp10k": [
+            "https://figshare.com/ndownloader/files/40566122",
+            "ocp10k.json",
+            "Obtaining OCP 10k train dataset, 59886...",
+            "https://github.com/Open-Catalyst-Project/ocp",
+        ],
+        # https://doi.org/10.6084/m9.figshare.22817651
+        "arxiv_summary": [
+            "https://figshare.com/ndownloader/files/40566137",
+            "arxiv_summary.json",
+            "Obtaining arxiv summary cond.mat dataset 137927...",
+            "https://github.com/usnistgov/chemnlp",
+        ],
+        # TODO:PubChem
+        # https://doi.org/10.6084/m9.figshare.22975787
+        "supercon_chem": [
+            "https://figshare.com/ndownloader/files/40719260",
+            "supercon_chem.json",
+            "Obtaining supercon chem dataset 16414...",
+            "https://www.nature.com/articles/s41524-018-0085-8",
+        ],
+        # https://doi.org/10.6084/m9.figshare.22976285
+        "mag2d_chem": [
+            "https://figshare.com/ndownloader/files/40720004",
+            "mag2d_chem.json",
+            "Obtaining magnetic 2D chem dataset 226...",
+            "https://doi.org/10.24435/materialscloud:2019.0020/v1",
+        ],
+        # https://doi.org/10.6084/m9.figshare.23000573
+        "vacancydb": [
+            "https://figshare.com/ndownloader/files/40750811",
+            "vacancydb.json",
+            "Obtaining vacancy dataset 464...",
+            "https://arxiv.org/abs/2205.08366",
+        ],
+        # Contains repeats
+        # https://doi.org/10.6084/m9.figshare.23206193
+        "ocp100k": [
+            "https://figshare.com/ndownloader/files/40902845",
+            "ocp100k.json",
+            "Obtaining OCP100k dataset 149886...",
+            "https://github.com/Open-Catalyst-Project/ocp",
+        ],
+        # https://doi.org/10.6084/m9.figshare.23250629
+        "ocp_all": [
+            "https://figshare.com/ndownloader/files/40974599",
+            "ocp_all.json",
+            "Obtaining OCPall dataset 510214...",
+            "https://github.com/Open-Catalyst-Project/ocp",
+        ],
+        # https://doi.org/10.6084/m9.figshare.23225687
+        "tinnet_N": [
+            "https://figshare.com/ndownloader/files/40934285",
+            "tinnet_N.json",
+            "Obtaining TinNet Nitrogen dataset 329...",
+            "https://github.com/hlxin/tinnet",
+        ],
+        # https://doi.org/10.6084/m9.figshare.23254151
+        "tinnet_O": [
+            "https://figshare.com/ndownloader/files/40978943",
+            "tinnet_O.json",
+            "Obtaining TinNet Oxygen dataset 747...",
+            "https://github.com/hlxin/tinnet",
+        ],
+        # https://doi.org/10.6084/m9.figshare.23254154
+        "tinnet_OH": [
+            "https://figshare.com/ndownloader/files/40978949",
+            "tinnet_OH.json",
+            "Obtaining TinNet OH dataset 748...",
+            "https://github.com/hlxin/tinnet",
+        ],
+        # https://doi.org/10.6084/m9.figshare.21370572
+        "supercon_3d": [
+            "https://figshare.com/ndownloader/files/38307921",
+            "jarvis_epc_data_figshare_1058.json",
+            "Obtaining supercond. Tc dataset 1058...",
+            "https://www.nature.com/articles/s41524-022-00933-1",
+        ],
+        # https://doi.org/10.6084/m9.figshare.21370572
+        "supercon_2d": [
+            "https://figshare.com/ndownloader/files/38950433",
+            "jarvis_epc_data_2d.json",
+            "Obtaining supercond. Tc dataset 161...",
+            "https://doi.org/10.1021/acs.nanolett.2c04420",
+        ],
         # https://doi.org/10.6084/m9.figshare.13154159
         "raw_files": [
             "https://ndownloader.figshare.com/files/25295732",

diff --git a/setup.py b/setup.py
@@ -11,7 +11,7 @@
 
 setup(
     name="jarvis-tools",
-    version="2023.04.06",
+    version="2023.05.26",
     long_description=long_d,
     install_requires=[
         "numpy>=1.19.5",