Increase coverage.

alignn/pretrained.py

@@ -14,11 +14,119 @@
 from jarvis.core.atoms import Atoms
 from jarvis.core.graphs import Graph
 
-all_models = loadjson(
-    str(os.path.join(os.path.dirname(__file__), "pretrained_models.json"))
-)
-
-
+# Name of the model, figshare link, number of outouts
+all_models = {
+    "jv_formation_energy_peratom_alignn": [
+        "https://figshare.com/ndownloader/files/31458679",
+        1,
+    ],
+    "jv_optb88vdw_total_energy_alignn": [
+        "https://figshare.com/ndownloader/files/31459642",
+        1,
+    ],
+    "jv_optb88vdw_bandgap_alignn": [
+        "https://figshare.com/ndownloader/files/31459636",
+        1,
+    ],
+    "jv_mbj_bandgap_alignn": [
+        "https://figshare.com/ndownloader/files/31458694",
+        1,
+    ],
+    "jv_spillage_alignn": [
+        "https://figshare.com/ndownloader/files/31458736",
+        1,
+    ],
+    "jv_slme_alignn": ["https://figshare.com/ndownloader/files/31458727", 1],
+    "jv_bulk_modulus_kv_alignn": [
+        "https://figshare.com/ndownloader/files/31458649",
+        1,
+    ],
+    "jv_shear_modulus_gv_alignn": [
+        "https://figshare.com/ndownloader/files/31458724",
+        1,
+    ],
+    "jv_n-Seebeck_alignn": [
+        "https://figshare.com/ndownloader/files/31458718",
+        1,
+    ],
+    "jv_n-powerfact_alignn": [
+        "https://figshare.com/ndownloader/files/31458712",
+        1,
+    ],
+    "jv_magmom_oszicar_alignn": [
+        "https://figshare.com/ndownloader/files/31458685",
+        1,
+    ],
+    "jv_kpoint_length_unit_alignn": [
+        "https://figshare.com/ndownloader/files/31458682",
+        1,
+    ],
+    "jv_avg_elec_mass_alignn": [
+        "https://figshare.com/ndownloader/files/31458643",
+        1,
+    ],
+    "jv_avg_hole_mass_alignn": [
+        "https://figshare.com/ndownloader/files/31458646",
+        1,
+    ],
+    "jv_epsx_alignn": ["https://figshare.com/ndownloader/files/31458667", 1],
+    "jv_mepsx_alignn": ["https://figshare.com/ndownloader/files/31458703", 1],
+    "jv_max_efg_alignn": [
+        "https://figshare.com/ndownloader/files/31458691",
+        1,
+    ],
+    "jv_ehull_alignn": ["https://figshare.com/ndownloader/files/31458658", 1],
+    "jv_dfpt_piezo_max_dielectric_alignn": [
+        "https://figshare.com/ndownloader/files/31458652",
+        1,
+    ],
+    "jv_dfpt_piezo_max_dij_alignn": [
+        "https://figshare.com/ndownloader/files/31458655",
+        1,
+    ],
+    "jv_exfoliation_energy_alignn": [
+        "https://figshare.com/ndownloader/files/31458676",
+        1,
+    ],
+    "mp_e_form_alignnn": [
+        "https://figshare.com/ndownloader/files/31458811",
+        1,
+    ],
+    "mp_gappbe_alignnn": [
+        "https://figshare.com/ndownloader/files/31458814",
+        1,
+    ],
+    "qm9_U0_alignn": ["https://figshare.com/ndownloader/files/31459054", 1],
+    "qm9_U_alignn": ["https://figshare.com/ndownloader/files/31459051", 1],
+    "qm9_alpha_alignn": ["https://figshare.com/ndownloader/files/31459027", 1],
+    "qm9_gap_alignn": ["https://figshare.com/ndownloader/files/31459036", 1],
+    "qm9_G_alignn": ["https://figshare.com/ndownloader/files/31459033", 1],
+    "qm9_HOMO_alignn": ["https://figshare.com/ndownloader/files/31459042", 1],
+    "qm9_LUMO_alignn": ["https://figshare.com/ndownloader/files/31459045", 1],
+    "qm9_ZPVE_alignn": ["https://figshare.com/ndownloader/files/31459057", 1],
+    "hmof_co2_absp_alignnn": [
+        "https://figshare.com/ndownloader/files/31459198",
+        5,
+    ],
+    "hmof_max_co2_adsp_alignnn": [
+        "https://figshare.com/ndownloader/files/31459207",
+        1,
+    ],
+    "hmof_surface_area_m2g_alignnn": [
+        "https://figshare.com/ndownloader/files/31459222",
+        1,
+    ],
+    "hmof_surface_area_m2cm3_alignnn": [
+        "https://figshare.com/ndownloader/files/31459219",
+        1,
+    ],
+    "hmof_pld_alignnn": ["https://figshare.com/ndownloader/files/31459216", 1],
+    "hmof_lcd_alignnn": ["https://figshare.com/ndownloader/files/31459201", 1],
+    "hmof_void_fraction_alignnn": [
+        "https://figshare.com/ndownloader/files/31459228",
+        1,
+    ],
+}
 parser = argparse.ArgumentParser(
     description="Atomistic Line Graph Neural Network Pretrained Models"
 )