Update matbench dataset links to work with MPContribs

[ardunn]

Big shouts out to @tschaume

[ardunn]

Although dataset downloads are not explicitly tested, I am testing them locally.

from matminer.datasets.dataset_retrieval import load_dataset, get_available_datasets

datasets = get_available_datasets(print_format=None)

for dataset in datasets:
    if "matbench_" in dataset:
        print(f"LOADING {dataset}...")
        df = load_dataset(dataset)
        print(df)
        print("...\n\n\n")

All datasets seem to load perfectly:

LOADING matbench_dielectric...
Fetching matbench_dielectric.json.gz from https://ml.materialsproject.org/matbench_dielectric.json.gz to /Users/ardunn/alex/lbl/projects/common_env/dev_codes/matminer/matminer/datasets/matbench_dielectric.json.gz
                                              structure         n
0     [[4.29304147 2.4785886  1.07248561] S, [4.2930...  1.752064
1     [[3.95051434 4.51121437 0.28035002] K, [4.3099...  1.652859
2     [[-1.78688104  4.79604117  1.53044621] Rb, [-1...  1.867858
3     [[4.51438064 4.51438064 0.        ] Mn, [0.133...  2.676887
4     [[-4.36731958  6.8886097   0.50929706] Li, [-2...  1.793232
...                                                 ...       ...
4759  [[ 2.79280881  0.12499663 -1.84045389] Ca, [-2...  2.136837
4760  [[0.         5.50363806 3.84192106] O, [4.7662...  2.690619
4761  [[0. 0. 0.] Ba, [ 0.23821924  4.32393487 -0.35...  2.811494
4762  [[0.         0.18884638 0.        ] K, [0.    ...  1.832887
4763  [[0. 0. 0.] Cs, [2.80639641 2.80639641 2.80639...  2.559279

[4764 rows x 2 columns]
...



LOADING matbench_expt_gap...
Fetching matbench_expt_gap.json.gz from https://ml.materialsproject.org/matbench_expt_gap.json.gz to /Users/ardunn/alex/lbl/projects/common_env/dev_codes/matminer/matminer/datasets/matbench_expt_gap.json.gz
            composition  gap expt
0              Ag(AuS)2      0.00
1            Ag(W3Br7)2      0.00
2      Ag0.5Ge1Pb1.75S4      1.83
3     Ag0.5Ge1Pb1.75Se4      1.51
4                Ag2BBr      0.00
...                 ...       ...
4599             ZrTaN3      1.72
4600               ZrTe      0.00
4601             ZrTi2O      0.00
4602             ZrTiF6      0.00
4603               ZrW2      0.00

[4604 rows x 2 columns]
...



LOADING matbench_expt_is_metal...
Fetching matbench_expt_is_metal.json.gz from https://ml.materialsproject.org/matbench_expt_is_metal.json.gz to /Users/ardunn/alex/lbl/projects/common_env/dev_codes/matminer/matminer/datasets/matbench_expt_is_metal.json.gz
            composition  is_metal
0              Ag(AuS)2      True
1            Ag(W3Br7)2      True
2      Ag0.5Ge1Pb1.75S4     False
3     Ag0.5Ge1Pb1.75Se4     False
4                Ag2BBr      True
...                 ...       ...
4916             ZrTaN3     False
4917               ZrTe      True
4918             ZrTi2O      True
4919             ZrTiF6      True
4920               ZrW2      True

[4921 rows x 2 columns]
...



LOADING matbench_glass...
Fetching matbench_glass.json.gz from https://ml.materialsproject.org/matbench_glass.json.gz to /Users/ardunn/alex/lbl/projects/common_env/dev_codes/matminer/matminer/datasets/matbench_glass.json.gz
      composition    gfa
0              Al  False
1        Al(NiB)2   True
2     Al10Co21B19   True
3     Al10Co23B17   True
4     Al10Co27B13   True
...           ...    ...
5675        ZrTi9  False
5676      ZrTiSi2   True
5677      ZrTiSi3   True
5678       ZrVCo8   True
5679       ZrVNi2   True

[5680 rows x 2 columns]
...



LOADING matbench_jdft2d...
Fetching matbench_jdft2d.json.gz from https://ml.materialsproject.org/matbench_jdft2d.json.gz to /Users/ardunn/alex/lbl/projects/common_env/dev_codes/matminer/matminer/datasets/matbench_jdft2d.json.gz
                                             structure  exfoliation_en
0    [[1.49323139 3.32688406 7.26257785] Hf, [3.326...       63.593833
1    [[1.85068084 4.37698238 6.9301577 ] As, [0.   ...      134.863750
2    [[ 0.          2.0213325  11.97279555] Ti, [ 1...       43.114667
3    [[2.39882726 2.39882726 2.53701553] In, [0.054...      240.715488
4    [[-1.83484554e-06  1.73300105e+00  2.61675943e...       67.442833
..                                                 ...             ...
631  [[ 2.38592362  1.37751086 13.178104  ] Co, [-2...       26.426545
632  [[0.         0.         6.02219863] Br, [0.   ...       43.574286
633  [[2.74646086 0.06822876 1.46596737] Se, [6.324...       88.808659
634  [[6.79056646 2.04327631 3.37729406] I, [2.0440...      132.265250
635  [[ 0.69409027  1.22690182 -0.85636865] Co, [-0...       63.564333

[636 rows x 2 columns]
...



LOADING matbench_log_gvrh...
Fetching matbench_log_gvrh.json.gz from https://ml.materialsproject.org/matbench_log_gvrh.json.gz to /Users/ardunn/alex/lbl/projects/common_env/dev_codes/matminer/matminer/datasets/matbench_log_gvrh.json.gz
                                               structure  log10(G_VRH)
0      [[0. 0. 0.] Ca, [1.37728887 1.57871271 3.73949...      1.447158
1      [[3.14048493 1.09300401 1.64101398] Mg, [0.625...      1.518514
2      [[ 2.06884519  2.40627241 -0.45891585] Si, [1....      1.740363
3      [[2.06428082 0.         2.06428082] Pd, [0.   ...      1.707570
4      [[3.09635262 1.0689416  1.53602403] Mg, [0.593...      1.602060
...                                                  ...           ...
10982  [[0. 0. 0.] Rh, [3.2029368  3.2029368  2.09459...      1.414973
10983  [[-1.51157821  4.4173925   1.21553922] Mg, [3....      1.431364
10984  [[4.37546772 4.51128393 6.81784473] H, [0.4573...      1.000000
10985  [[0. 0. 0.] Si, [ 4.55195829  4.55195829 -4.55...      1.579784
10986  [[1.44565668 0.         2.05259079] Al, [1.445...      1.698970

[10987 rows x 2 columns]
...



LOADING matbench_log_kvrh...
Fetching matbench_log_kvrh.json.gz from https://ml.materialsproject.org/matbench_log_kvrh.json.gz to /Users/ardunn/alex/lbl/projects/common_env/dev_codes/matminer/matminer/datasets/matbench_log_kvrh.json.gz
                                               structure  log10(K_VRH)
0      [[0. 0. 0.] Ca, [1.37728887 1.57871271 3.73949...      1.707570
1      [[3.14048493 1.09300401 1.64101398] Mg, [0.625...      1.633468
2      [[ 2.06884519  2.40627241 -0.45891585] Si, [1....      1.908485
3      [[2.06428082 0.         2.06428082] Pd, [0.   ...      2.117271
4      [[3.09635262 1.0689416  1.53602403] Mg, [0.593...      1.690196
...                                                  ...           ...
10982  [[0. 0. 0.] Rh, [3.2029368  3.2029368  2.09459...      1.778151
10983  [[-1.51157821  4.4173925   1.21553922] Mg, [3....      1.724276
10984  [[4.37546772 4.51128393 6.81784473] H, [0.4573...      1.342423
10985  [[0. 0. 0.] Si, [ 4.55195829  4.55195829 -4.55...      1.770852
10986  [[1.44565668 0.         2.05259079] Al, [1.445...      1.954243

[10987 rows x 2 columns]
...



LOADING matbench_mp_e_form...
Fetching matbench_mp_e_form.json.gz from https://ml.materialsproject.org/matbench_mp_e_form.json.gz to /Users/ardunn/alex/lbl/projects/common_env/dev_codes/matminer/matminer/datasets/matbench_mp_e_form.json.gz
                                                structure    e_form
0       [[0. 0. 0.] Pt, [1.40802527 1.40802527 1.40802...  1.995384
1       [[0. 0. 0.] Cd, [-3.88999977 -3.88999977 -3.88...  2.103048
2       [[0. 0. 0.] Cd, [ 2.4281169  2.4281169 -2.4281...  1.983566
3       [[0. 0. 0.] Au, [ 3.73685716  3.73685716 -3.73...  1.528850
4       [[0. 0. 0.] Ag, [-2.33387948 -2.33387948 -2.33...  2.235059
...                                                   ...       ...
132747  [[0.90688012 0.90688012 3.65081586] Sc, [2.720... -4.060381
132748  [[ 0.07547367  2.75237591 -8.16999325] Ce, [ 0... -3.918910
132749  [[3.04379721 2.81477641 7.80253026] Ca, [6.363... -3.851440
132750  [[3.29589261 2.29147874 5.98314495] Ca, [0. 0.... -3.983134
132751  [[0.671257   5.45652618 0.19875358] Ca, [0.970... -3.898357

[132752 rows x 2 columns]
...



LOADING matbench_mp_gap...
Fetching matbench_mp_gap.json.gz from https://ml.materialsproject.org/matbench_mp_gap.json.gz to /Users/ardunn/alex/lbl/projects/common_env/dev_codes/matminer/matminer/datasets/matbench_mp_gap.json.gz
                                                structure  gap pbe
0       [[-0.00812638  0.02476014 -0.01698117] K, [-0....   1.3322
1       [[0.         1.78463544 1.78463544] Cr, [1.784...   0.0000
2       [[-2.13764909 -2.12540569 -2.14704542] Cs, [-6...   0.0000
3       [[0. 0. 0.] Si, [ 4.55195829  4.55195829 -4.55...   0.4113
4       [[0.    2.655 2.655] Ca, [2.655 0.    2.655] C...   0.3514
...                                                   ...      ...
106108  [[ 2.91058377  3.61215869 -0.19100541] Ca, [-0...   1.1354
106109  [[0.07215014 3.75835129 1.91249744] Ta, [2.014...   2.7274
106110  [[0.99954964 0.70129827 4.70919163] Mg, [ 0.87...   2.8860
106111  [[0.99298226 0.71146045 4.70710628] Zn, [ 0.86...   2.2330
106112  [[ 7.28898036  5.15386774 12.6253607 ] Mg, [1....   1.0583

[106113 rows x 2 columns]
...



LOADING matbench_mp_is_metal...
Fetching matbench_mp_is_metal.json.gz from https://ml.materialsproject.org/matbench_mp_is_metal.json.gz to /Users/ardunn/alex/lbl/projects/common_env/dev_codes/matminer/matminer/datasets/matbench_mp_is_metal.json.gz
                                                structure  is_metal
0       [[-0.00812638  0.02476014 -0.01698117] K, [-0....     False
1       [[0.         1.78463544 1.78463544] Cr, [1.784...      True
2       [[-2.13764909 -2.12540569 -2.14704542] Cs, [-6...      True
3       [[0. 0. 0.] Si, [ 4.55195829  4.55195829 -4.55...     False
4       [[0.    2.655 2.655] Ca, [2.655 0.    2.655] C...     False
...                                                   ...       ...
106108  [[ 2.91058377  3.61215869 -0.19100541] Ca, [-0...     False
106109  [[0.07215014 3.75835129 1.91249744] Ta, [2.014...     False
106110  [[0.99954964 0.70129827 4.70919163] Mg, [ 0.87...     False
106111  [[0.99298226 0.71146045 4.70710628] Zn, [ 0.86...     False
106112  [[ 7.28898036  5.15386774 12.6253607 ] Mg, [1....     False

[106113 rows x 2 columns]
...



LOADING matbench_perovskites...
Fetching matbench_perovskites.json.gz from https://ml.materialsproject.org/matbench_perovskites.json.gz to /Users/ardunn/alex/lbl/projects/common_env/dev_codes/matminer/matminer/datasets/matbench_perovskites.json.gz
                                               structure  e_form
0      [[0. 0. 0.] Rh, [1.97726555 1.97726555 1.97726...    2.16
1      [[2.54041798 0.         0.        ] Hf, [1.020...    1.52
2      [[0.60790913 0.         0.        ] Re, [2.186...    1.48
3      [[2.83091357 0.         0.        ] W, [2.6573...    1.24
4      [[0.00518937 0.         0.        ] Bi, [2.172...    0.62
...                                                  ...     ...
18923  [[4.44077598 0.         0.        ] Rb, [2.652...    1.66
18924  [[4.56913824e-03 7.21569024e-19 0.00000000e+00...    2.12
18925  [[0.0040044 0.        0.       ] Zn, [1.821570...    1.50
18926  [[0. 0. 0.] Ca, [2.16744896 2.16744896 2.16744...    2.48
18927  [[1.23999712 4.09195837 4.09195837] Al, [2.500...    1.06

[18928 rows x 2 columns]
...



LOADING matbench_phonons...
Fetching matbench_phonons.json.gz from https://ml.materialsproject.org/matbench_phonons.json.gz to /Users/ardunn/alex/lbl/projects/common_env/dev_codes/matminer/matminer/datasets/matbench_phonons.json.gz
                                              structure  last phdos peak
0     [[2.8943817  2.04663693 5.01321616] Te, [0. 0....        98.585771
1     [[0.98372595 0.69559929 1.70386332] B, [0. 0. ...       701.585723
2     [[0. 0. 0.] Ba, [2.15053493 1.24161183 2.85808...      1138.585689
3     [[-2.23741407  0.         -2.23366548] Al, [0....       718.585722
4     [[1.60015264 0.92384464 2.65049608] B, [0.0000...       795.585716
...                                                 ...              ...
1260  [[1.69099645e-03 3.81913207e+00 1.07685858e-01...       142.585768
1261  [[1.64439731e-03 3.64832409e+00 1.03287739e-01...       223.585761
1262  [[-3.66731982 -1.91142875  2.96640499] K, [ 3....       219.718383
1263  [[ 1.57631457 -0.32583322 -1.57631457] N, [ 1....      1090.585692
1264  [[1.46542555 0.84617794 1.95957081] W, [0.0000...      1038.585697

[1265 rows x 2 columns]
...



LOADING matbench_steels...
Fetching matbench_steels.json.gz from https://ml.materialsproject.org/matbench_steels.json.gz to /Users/ardunn/alex/lbl/projects/common_env/dev_codes/matminer/matminer/datasets/matbench_steels.json.gz
                                           composition  yield strength
0    Fe0.620C0.000953Mn0.000521Si0.00102Cr0.000110N...          2411.5
1    Fe0.623C0.00854Mn0.000104Si0.000203Cr0.147Ni0....          1123.1
2    Fe0.625Mn0.000102Si0.000200Cr0.0936Ni0.129Mo0....          1736.3
3    Fe0.634C0.000478Mn0.000523Si0.00102Cr0.000111N...          2487.3
4    Fe0.636C0.000474Mn0.000518Si0.00101Cr0.000109N...          2249.6
..                                                 ...             ...
307  Fe0.823C0.0176Mn0.00183Si0.000198Cr0.0779Ni0.0...          1722.5
308  Fe0.823Mn0.000618Si0.00101Cr0.0561Ni0.0984Mo0....          1019.0
309  Fe0.825C0.0174Mn0.00175Si0.000201Cr0.0565Ni0.0...          1860.3
310  Fe0.858C0.0191Mn0.00194Si0.000199Cr0.0753Ni0.0...          1812.1
311  Fe0.860C0.0125Mn0.00274Si0.000198Cr0.00439Ni0....          1139.7

[312 rows x 2 columns]
...