alignn/__init__.py,sha256=a5FX6sXuMCGvTjFuxcoIO6drZ3dg0mg4ZhBXnJy8zyk,49
alignn/cli.py,sha256=qqYAA6FZA_X9UekBnmY-zl4jeyJ5FupiBV2h_crupeA,1871
alignn/config.py,sha256=z3SXbsO_kn9v-GMqNnCfaCXGlTw0ZAMgstqeuVEmeGI,6022
alignn/data.py,sha256=t0NMLXKBrwbNsvE2yYqBR8eq22jFcN7-pcYq1liAvcY,20309
alignn/graphs.py,sha256=o_97vCGWCzrZwtEkU8_4Ow4tv57dInEVLh5uIIJS9h4,32087
alignn/pretrained.py,sha256=C2Gjup1E-RQUyFYkDgNGWFKZmtn3hEqPK1weUOVhLKE,13787
alignn/profile.py,sha256=fZfLkrYfAPfELs-uueXF2wDffU1eNH3BN6YuFG_pxCU,2454
alignn/run_alignn_ff.py,sha256=-kpSnKFEhE7OPCXPEyFvi0XmvYu-NDfRqeWhOswS9Ds,7857
alignn/train.py,sha256=FXjiqDCOpd5ei70UaJK0ABa8h2K0-Id8f28Td-agE8w,34115
alignn/train_alignn.py,sha256=JIb7MXHH0lPq0dDR4tY0-R4YvdJ3QMx2-F9WyNFBJTw,13015
alignn/train_props.py,sha256=6InY9hZK-Ws2a8zDeXxNvpK0uP3V5Cx6pFWl8iIky7w,5816
alignn/utils.py,sha256=Nc6s0MC8r4eFvf8SpDit8rrv1wcF6l6R2ySgX2MB43A,1178
alignn/ff/__init__.py,sha256=2JT_Fle45OuAqlsxbb3OF0YHv-ZRcPGizvCNef6gf4E,31
alignn/ff/ff.py,sha256=TEYqDRyU6ROZB4iSJ4pl8B7rPDt_ATRXt1P2D5lQjs0,50046
alignn/models/__init__.py,sha256=Ee9qnuWoWwkeRhI-UZ2tmS17sGvs336o7BOd0W6sdxY,402
alignn/models/alignn.py,sha256=fsb9834_h0ZSgUB4Sawa7NA9glkSpHA--CzGmAIjbUA,11431
alignn/models/alignn_atomwise.py,sha256=mwYQsrtWbwRM7q81ArMB7vOFqPQ6txz-pf4PKAXh7A0,19678
alignn/models/utils.py,sha256=S7dVqvjcCX8RbbDdEjvbzmgqPKlgL3LClW9ygueat_U,1234
alignn/scripts/__init__.py,sha256=uggVgTx0YBgpOK3nOifiMsUSjGFCHR0NJe5NDpKqhNk,27
alignn/scripts/alignn_evac.py,sha256=07FCBU_LKH9cod4dt2b9lFb66a5SCB8lkH11ZLgYdk4,4124
alignn/scripts/all_train_cgcnn.py,sha256=3aEtHnkO0FejdtSBh4L4KPacFFAE-uTClFC_SLbkDMs,1586
alignn/scripts/compare_cfid.py,sha256=KMFZAD4ahQPCK-FnR7EEN5R1koz67KZf0REDC0rmfYc,3359
alignn/scripts/cubic_mat_relax.py,sha256=f-CgZL4pb1yagm3kWsivUn5Ol8Znidhbbf9sxfRUNkk,1437
alignn/scripts/defect.py,sha256=Au0kp-OMIpNAiNuOjgf21vDTagTewBDp0ltLWgU-Hk4,2188
alignn/scripts/early_stopping_checker.py,sha256=YlebURXyGl1d2w1w2nDHfaSpmEil9hanZaxQqcIwfuw,1442
alignn/scripts/ev_curve.py,sha256=opajAb1ysgeZYSuHx6tB7CA10oKLqz_7leQzlt7YMzI,5445
alignn/scripts/ev_curve_comp.py,sha256=CWvTitqMB0RKmKYM39BFLR0ukZ0DEXfjcLKxOZ8ha_c,1593
alignn/scripts/final_model.py,sha256=ZwhVNr9gED5YWAZsWZAm1Q6Kls1_CN0BPOitPoeZydw,1340
alignn/scripts/graph_viz.py,sha256=mn3rrG8_MVDsmERpjnFGy-SAw2SkRd8XbQnNw6SaZE4,382
alignn/scripts/make_test_split_cross_pred.py,sha256=t7ehjuHD3IrF3hEnuSld0oikdhoHJfxAqVrxw_sQ5r0,1923
alignn/scripts/plot_ff_results.py,sha256=q-bKe6Rmzs6ih92MeNobXyFPxXzlTju39bpNYDH4VD8,4270
alignn/scripts/plot_phonons_ff.py,sha256=KlwGJWFKVQ9T01iFXkUrV08eo64JfODZhNbLCleAah4,2022
alignn/scripts/predict.py,sha256=-3BFqBSkHQX72E9Be8Fgc4XTsL8nBsNy0t53E_xHXrc,1192
alignn/scripts/predict_db.py,sha256=2n5pBBx1hbywsyXfcKil9Rxv56JE9DwB6eSDRpqwYWM,2283
alignn/scripts/predict_db_all.py,sha256=z6n12CpDfwtd08enFGluH1SggzDyn3mSbHUFMv35yC4,4631
alignn/scripts/train_all_hmof.py,sha256=VH3TBCQr2kecSCTT7twqWygm0a-khkr4jSqbq0khvgM,1315
alignn/scripts/train_all_hpov.py,sha256=6vG6JseCbjKDPwnPwP_RKlxcToAB_oZtIG_PWDvEKLg,1297
alignn/scripts/train_all_jv.py,sha256=9V4MHKkViwPlmTQ9B1aRz7tGOiK8RBGiN7Ys1H1cM4k,1725
alignn/scripts/train_all_jv_class.py,sha256=fQ4NFr54uonQNMuPPGMHRydNKByNGv5KNDZGnDlIFf0,1751
alignn/scripts/train_all_jv_dal.py,sha256=1tWt72LstFuuILsoYZMfe3famLjcfrtDEg-slTGPUes,1737
alignn/scripts/train_all_mp.py,sha256=v9Z-zDZjPzbWuu6wzkwM-uPcl4bCatAYlUz15olQZTc,1376
alignn/scripts/train_all_oqmd.py,sha256=0n7cWamA8NPNG2R7Km7arvacznFX6-qT6w_b7xD90-w,1413
alignn/scripts/train_all_pdbbind.py,sha256=4E0VdVfVw7dL8yxuSD-vSM6HNxYHa3-0SMJyhUzFgPM,1242
alignn/scripts/train_all_qetb.py,sha256=2aRoG9Kt0f3ANK_AXdqZodmnm-Ak92ixvSiZkTO9CZ4,1427
alignn/scripts/train_all_qm9_jctc.py,sha256=zxR-jrVRoDNYSwkRg361gEHCeVbU6o9WabVG5hK3k2s,1336
alignn/scripts/train_all_qmof.py,sha256=z4bY3OXrMbilfmHKAYotzkYLfzjKGvWPizuSuHt6B-Y,1411
alignn/scripts/train_cgcnn_repo.py,sha256=vjzjJgX5hxnOGPWVaumf9AE9FLl4sURu_3o_1dPO2UQ,1924
alignn/scripts/train_edos_pdos.py,sha256=W8h0fr0ijk8ngwt7uSXKFk9FeUww5YTnZEmvXpaMPcI,1235
alignn/scripts/train_megnet.py,sha256=Kh_r-D2loX65Gzta2HgdIO5vphyGE8PBciXr4LhIBhw,4257
alignn-2024.3.24.data/scripts/pretrained.py,sha256=m4xyTmDVaTeOLl7zOLigXso-R4QJQEpBAt2GocN8Ees,13774
alignn-2024.3.24.data/scripts/run_alignn_ff.py,sha256=exxgdrH4DuxTLfiU974BEOf7_jpOIjOCi_A240qWxtY,7844
alignn-2024.3.24.data/scripts/train_alignn.py,sha256=N9_BpGGPPVEwpSZS_floU0LWwWDt-qF_JtY_3BznALY,13002
alignn-2024.3.24.dist-info/LICENSE.rst,sha256=g8UZ4xWi2mx4qoIpieiWNYqHDrtRJGswSfZx64S28W4,1878
alignn-2024.3.24.dist-info/METADATA,sha256=1w7CMNaOGuZLOwBhXvqNFPgMz3yyJLGZ-HkzWn8V1yQ,30408
alignn-2024.3.24.dist-info/WHEEL,sha256=-G_t0oGuE7UD0DrSpVZnq1hHMBV9DD2XkS5v7XpmTnk,110
alignn-2024.3.24.dist-info/top_level.txt,sha256=MxXtuoBcRGTrFBFFYoYX0DOPiitSQQPiJX8W-n5laN4,7
alignn-2024.3.24.dist-info/RECORD,,
