Path |
Digest |
Size |
curator/__init__.py |
sha256=Kbtyw8t4Gc_pHICWSPUFo7bIv8Y6fjuP7Uz2XbB4rW4
|
92 |
curator/cli.py |
sha256=qQqG24bDzNW7pO38I3oNwJZAGEzdwi0bgfQ-Z_VK940
|
25656 |
curator/user_cfg.yaml |
sha256=daAxIoFZF_BwfEu_rSGR2vDuONMpnjfEgd8kJF8VUf0
|
4512 |
curator/utils.py |
sha256=m-iIK2VwO7eDSKFkjvzHKs02hg3oZmt9FCet0FSj0pI
|
6425 |
curator/configs/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
curator/configs/label.yaml |
sha256=0TMt8u6KmHAqGVIdLtC7uQuQMyobuEdTdY7rraPOIBw
|
764 |
curator/configs/select.yaml |
sha256=mtOKWDNkD8zxodLEvQTYzwus_7AhBZSPh5KmjG8T-ok
|
237 |
curator/configs/simulate.yaml |
sha256=sNOegieY8CpziLohjcUJ9WJXxss2jFCUaUVJ-Hn9dec
|
102 |
curator/configs/train.yaml |
sha256=GiEGxUQpRuBzR7Wa5mVHREO1-_6UXFUQUsmzgxt16TE
|
480 |
curator/configs/annotator/vasp.yaml |
sha256=NB4bnR-9h3sFY2dG07FSP9MqBa1SbkclG18CP-ZNaUg
|
474 |
curator/configs/annotator/vasp_annotator.yaml |
sha256=gc2XqurQ54GmY9rrhxqXzvVBCSfsGbLVIug3XKc60hE
|
96 |
curator/configs/annotator/calc_params/vasp_params.yaml |
sha256=NCShBCzhK0fczF4zfuqvC18XHAdzP9r2BnO9b6P34sg
|
134 |
curator/configs/annotator/calculator/gpaw.yaml |
sha256=8l3KPjhRv_uDTDhfXJgp1IWt6aMo9Czsq3j7X4Yv4q0
|
452 |
curator/configs/annotator/calculator/vasp.yaml |
sha256=wMj21oTpi4CTkVQnAZYCt2elg_rFzsNEyk3OUftLye4
|
392 |
curator/configs/data/custom.yaml |
sha256=-REBbrU1LfIIDsNBNjRw4AGlVK4KW5o1bvPGoz56RJM
|
483 |
curator/configs/model/nnp.yaml |
sha256=3oQ4Um8weeFRKCRFBfGYPr656HePgb8uEYchETayZrQ
|
387 |
curator/configs/model/repr_params/mace_params.yaml |
sha256=hmmxYxfTn6KPPFdVZLoUhvURkTxSDMgt8u-fpxcmVe8
|
117 |
curator/configs/model/repr_params/nequip_params.yaml |
sha256=p2CrAtqPLat4p8mSeOSTOwwtpF9SXzvZ4_GBGiBbsiM
|
115 |
curator/configs/model/repr_params/painn_params.yaml |
sha256=hmg8MbB0hTPleio_SkMwm_XuprO8YaV7pdj6suwcJZo
|
77 |
curator/configs/model/representation/mace.yaml |
sha256=_DILrJMakKVhmVzAMYSIcneEoUoMh5BXNWOnuZm6o1E
|
356 |
curator/configs/model/representation/nequip.yaml |
sha256=leTmgAYPiEYX_SI80j_BlvCZyGWJ-bzJqNaCpCt_b80
|
183 |
curator/configs/model/representation/painn.yaml |
sha256=IJ1OiOGRsubkYVv_UtDC2i-qZLw-pwJfrACimTT_mE4
|
306 |
curator/configs/simulator/md.yaml |
sha256=Yel-3Lqohx8sazYCBaS0kUYz47Bd68SnDvLmHHMi_zw
|
397 |
curator/configs/simulator/md_meta.yaml |
sha256=0esKZ8EOI7BKNWCSfPwq0sJD6Iov18Wcu3hLNvimJRE
|
228 |
curator/configs/simulator/neb.yaml |
sha256=MB411_qiJux9p9rvvF_D0FvicYwAq2rgxCMJzTV9kLI
|
348 |
curator/configs/simulator/dynamics/andersen.yaml |
sha256=Mdr5b7XXZZmf-ShWa3QB8HxmX--G1gNNxXlrcW-7sZk
|
210 |
curator/configs/simulator/dynamics/langevin.yaml |
sha256=ZUxWGLmFVgXxj7I-TcVPanbQgGczHjVv-bSpIX8wldM
|
281 |
curator/configs/simulator/dynamics/verlet.yaml |
sha256=Vbmuh_HXMZGJcW1E-wCm7o8MC09IXf85IKFrfuZKj7E
|
156 |
curator/configs/simulator/logger/md_logger.yaml |
sha256=lHSM3POtPitMF7-pEzmi7FRLSMyP3gg23cMlRAFNTBs
|
73 |
curator/configs/simulator/uncertainty/ensemble.yaml |
sha256=7x29S2sQF4VoVovLlksGnZ7RNB1MN0Pom3WmwkKBtaA
|
202 |
curator/configs/task/default_task.yaml |
sha256=VInkXGwUQkvpr_A6ChqBbYKWm8Y8QzhBxsCT8-US7Eo
|
350 |
curator/configs/task/optimizer/adam.yaml |
sha256=7rS9bBlx6-f6x-biG9gT-cBD11CJPgnXHxiH-RzPCfs
|
104 |
curator/configs/task/optimizer/adam_amsgrad.yaml |
sha256=mcKOndbUhsmDYAUuBuM6I2nUsOrh2KUtxFv79Hd8h0s
|
99 |
curator/configs/task/outputs/energy_force.yaml |
sha256=LNKJCJjdzkWgQwe_Ndbal1Z3gpcnqObiZFM_CYD1fFE
|
595 |
curator/configs/task/outputs/energy_force_per_species.yaml |
sha256=twGDpD7-KEo63U7_4dligSbZjNNZJU5Y90FMAZVWZwk
|
820 |
curator/configs/task/outputs/energy_force_stress.yaml |
sha256=UFyuxY2LWD8DNA5Ou_d0mGNX0I1heciLeY7wT41YVd0
|
893 |
curator/configs/task/outputs/energy_force_stress_per_species.yaml |
sha256=7RrTqULNRIQ7Jgg__HW6oga0uLGsnw84IygVelpoPh4
|
1216 |
curator/configs/task/scheduler/exponential.yaml |
sha256=dwXa9z_kL7959nhgZtKN_zwcZPe7hwnlv8TT8J-4eA8
|
76 |
curator/configs/task/scheduler/reduce_on_plateau.yaml |
sha256=xyNMIxbIVa5TkxcjxCZIqf_pwD1QhCNGcUBy01GwQZs
|
93 |
curator/configs/trainer/default_trainer.yaml |
sha256=1RRjMRzokI8s1_2NNhg2uXGZcuYQQ3AYvUvwkrYO2-Q
|
1260 |
curator/configs/trainer/logger/csv.yaml |
sha256=dANBkAmh8iSKZZB98WFXismXohLhaD-ok5qlyrMzWCU
|
106 |
curator/configs/trainer/logger/wandb.yaml |
sha256=5NRdWoax00UwxNnBSpf42uIkSYFcW06xmQ5PoI4Mnkc
|
108 |
curator/configs/uncertainty/ensemble.yaml |
sha256=hQFG2F_ED_Lifwvgx12L2AyjJrr2_ZfZWNVNm_qznXc
|
83 |
curator/configs/uncertainty/mc_dropout.yaml |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
curator/data/__init__.py |
sha256=HWn4a50j0bSu97Scdkc88Gy2k-eb1QEXHUQw_ewrlmI
|
1299 |
curator/data/_data_reader.py |
sha256=g-MhPdboUAzL8XuEM1ciEIBcZoiBTMVtIYt6ybKvYC0
|
6012 |
curator/data/_neighborlist.py |
sha256=VswXMeMRojVnA54UBqUUk7FoPIOUANw21UemLzRvcOk
|
12327 |
curator/data/_transform.py |
sha256=B4dIKSFT6BdWsiAsgCesW3sfUZAo27fs0_SF1Qk8-XI
|
629 |
curator/data/_type_mapper.py |
sha256=JBPjqMX33INtiQvQTMkVJpm9sWaBOJO50_uxfxqgEuw
|
2516 |
curator/data/datamodule.py |
sha256=TIZSXcUJTYS2YgGSeWwsgX7qCRuibV3XHoHmmFHWpko
|
15484 |
curator/data/dataset.py |
sha256=J7KIkUU0IeYJMokjfTTVmxdpvAZvgAeV5Lb71rix-WI
|
6253 |
curator/data/properties.py |
sha256=CJSC6rBFkXhY-yqav92cYmWVAebeGruIyyfUeqr5ebs
|
3607 |
curator/data/utils.py |
sha256=LEs8E5n6T0x0jsc-9J8Swu6wJc1BLnO_MJ-Hm_C3a00
|
4172 |
curator/label/__init__.py |
sha256=6gFmJIFNIHOJimIrEi0ShWozz4iuhJj_NV7S1C62l-s
|
128 |
curator/label/annotator.py |
sha256=6fPmhHIbNKgxDoYMImyHjCXyX_2ViuGhfjg4taWbvJU
|
1569 |
curator/label/gpaw.py |
sha256=QkI_QAfZp2vimBqjCePcx6YXBnpXdVFcuZvomyNvhXQ
|
1814 |
curator/label/inspector.py |
sha256=vPC2MhqjhdZBJEwDPGMXkFQRzxqOTbh_7A-X7r4UmJk
|
1402 |
curator/label/vasp.py |
sha256=6OsmCNJxJwGhQNJBTdGPaMbYfbJbXXW-b2RXSrtT6KE
|
2243 |
curator/layer/__init__.py |
sha256=HYtTf75ulsbAhVGt1FrnZFM493Gar7HCi98X63iF9aQ
|
2119 |
curator/layer/_atomic_linear.py |
sha256=v0Max0JyUbejVjn3JVMUdYfgPwNkvJr6-Q9syOHtBVY
|
1774 |
curator/layer/_atomwise_reduce.py |
sha256=hDPlmB5i4EWUl0MmWV8LypSU9xTnPqMYuv3_RMNlW-s
|
1213 |
curator/layer/_convnet.py |
sha256=FOgKOdM4APy1bprUnSX2uQYmsJ0pf5S-Jf90S4yoZAw
|
6033 |
curator/layer/_grad_output.py |
sha256=z_zS3BAHx9vafezDb9xFINHWQi8EITt08bvygb0a4XM
|
6309 |
curator/layer/_mace_interaction.py |
sha256=teNHdA37THWY8MSfrK4026YrwCWdxzvjjdpPP1IAy_s
|
7989 |
curator/layer/_nequip_interaction.py |
sha256=mp6g_4v8bG8ZmYHDLQEKMsWDCD_kWMuFPukMz7ukUUs
|
4786 |
curator/layer/_node_embedding.py |
sha256=p-kTOnKjZNcZz7Hpz9WTa5GjSTI9l0dvM5abFH85zfs
|
2125 |
curator/layer/_painn_message.py |
sha256=Lhq1Ic7OwwAwMRevob5bYib2Xr7bq8i_y0ZDi5Yh_NU
|
2839 |
curator/layer/_painn_update.py |
sha256=CUlGBAluDIml9LkREIx7FjUsnPbvH1hkKscnVq0pTyo
|
1462 |
curator/layer/_pairwise_distance.py |
sha256=W01JiG-0hxtMXyrYw3lg2Ls6AsKLw6yVS3xwO3QDjQo
|
2390 |
curator/layer/_rescale.py |
sha256=_B713cu42BsjGWzIjufN8j0CUQ9TswfQgXwkR0nLb9k
|
9463 |
curator/layer/_strain.py |
sha256=VUN3i___I6WYahru1SL-FoqetpQGNpv8s50OBud2PNM
|
1352 |
curator/layer/_symmetric_contraction.py |
sha256=9_IUWz1tFv9gzfpX12Y3KWa653csLCNRwPtZoNj8Tlk
|
8747 |
curator/layer/cutoff.py |
sha256=2GX5g9hEbuJXHOIYnJi5OWV99S1S4q8BgsRA_ZRod3E
|
1921 |
curator/layer/nonlinearities.py |
sha256=J2RA_MzGwZHWHZ_BrXG2MWhL_DeJuRL_uAZ_CrXb0c8
|
127 |
curator/layer/radial_basis.py |
sha256=kCH0Dm1iZ29T2iQ2YVBJzHwiZrcw-rRhXTHmWENPiVE
|
5223 |
curator/layer/utils.py |
sha256=WVUyyhjpfmeuluR-ReRLZ6ucxo1sHHVYfNNIbOCXzoA
|
7928 |
curator/model/__init__.py |
sha256=s6_S7ugB3GKA1VNHn4AC4SdDj-7EvYB7l_aKCVQI_kM
|
165 |
curator/model/base.py |
sha256=kNRT6aUw6k9xU5AHVg8a_3FpGJCntLZkZlpsEIOekt4
|
19652 |
curator/model/ensemble.py |
sha256=a3bOrS3igcVUM4GMb4b3mHN8IG1i2nMUJAJHwpPgm_E
|
2301 |
curator/model/mace.py |
sha256=PDaEXigsCz8MYPori_NZiJW1b4H7qEm9EQqO1EaaDbE
|
8689 |
curator/model/nequip.py |
sha256=pFPVtOvkphOnDg5_N0LJaj2kAcK4OvVXve5MZyKjFDo
|
7007 |
curator/model/painn.py |
sha256=hPMXqCi1jC1PY91b328NXKtC-HwzsDUTziLpbuEVIB0
|
2908 |
curator/select/__init__.py |
sha256=rS8hLixBVcH_ES3ZmGVa4lS3qLrd2weazHvigXzFdOI
|
375 |
curator/select/active_learning.py |
sha256=SR4r836lgIL_HaFSousP07C9mSehqRnpB2NPoOHlAsw
|
19283 |
curator/select/kernel.py |
sha256=-hPs0iMmTnn_3dlxh4s5jYLx25nukD-A-iG7DQrH3oE
|
2343 |
curator/select/select.py |
sha256=RJKLDLn-Dhv6IT7zXcPQo7VIkfixYSrf0l_prClkwlY
|
4593 |
curator/simulate/__init__.py |
sha256=8eX74oOmXNKXkLhwzqJFYsKD-1gUVLaSGUVqO5NMAtU
|
278 |
curator/simulate/calculator.py |
sha256=ThukFeW3wZ2oQBSHRFk1fvt_D15NUu37zIsv1Gph_as
|
6430 |
curator/simulate/logger.py |
sha256=iLhkXGs2fgrAqN0xmTOKFhoV3fkXtJ5Wl8IERcibGoc
|
4489 |
curator/simulate/md.py |
sha256=X4HZSaTGlyuSlownYb9xgw5J7mmpEeUkYS8ykGJvkss
|
2892 |
curator/simulate/md_meta.py |
sha256=G2eQKLezUoTf-xmHKHijgQTm2NmoR3OwV-EzyLCpAHI
|
3307 |
curator/simulate/neb.py |
sha256=0v2EZKYNevmaffj7KMid81lao17Ngm7xgAGla6f_9jA
|
6307 |
curator/simulate/optimizer.py |
sha256=lvCjxWiDLn_xYF9W-CRkp44udZ91uXUXsaMVePw8C-E
|
1102 |
curator/simulate/simulator.py |
sha256=cLF2JDAnNcqYNzQ2k4lOhiWg2O5-vO73HSJPiQEjdk4
|
3990 |
curator/simulate/uncertainty.py |
sha256=NVbNkuTrsm2gBRKCBo_iTKnnzLd47T1RrhTY-q-Yh_8
|
3033 |
curator/train/__init__.py |
sha256=5POCdk7SKrNv4Wfalp2aC2DNdhmtyzqVk90OBQjn39Y
|
354 |
curator/train/callbacks.py |
sha256=IrW5tOiTLcEvPVvoJ9QtZJR7ZKf_OemfVIZj1jEQPYY
|
1615 |
curator/train/metrics.py |
sha256=GiiUcYgs_GX57WLF_kdfsZkxrnoRXcPo2u13s4xxe_E
|
8667 |
curator/train/model_output.py |
sha256=XO2rTVa9tUfVhNKb6J7PMavZsdqkSAGI8vUTMFvG2Ms
|
4213 |
curator_torch-1.1.1.data/scripts/curator-deploy |
sha256=ajmzCoHcdi-E18HY1WCjfJ0ZRW_lvwIS5DUOpevBvLg
|
376 |
curator_torch-1.1.1.data/scripts/curator-label |
sha256=TYCw9lMGxG6S_0gqRyBYDXU8QsnoMwPlKIof4AsUVBw
|
78 |
curator_torch-1.1.1.data/scripts/curator-select |
sha256=1lugZBxRm9BZm9LnbvI2RvrtJIfW5y6nwVlLBXY8Xzs
|
79 |
curator_torch-1.1.1.data/scripts/curator-simulate |
sha256=N822nVpD0b8M5kDQiuPWj_x9x7buPNLAlDLjuJk1Zew
|
81 |
curator_torch-1.1.1.data/scripts/curator-tmptrain |
sha256=zrxGoBnb0QqeOKkfRfz2cg8hHyj-_KycLVAdS4KrAJ8
|
82 |
curator_torch-1.1.1.data/scripts/curator-train |
sha256=l4V-IxWRou_IHdMsCM-GgXq3KsgMteQRlaqhG5YFHR4
|
78 |
curator_torch-1.1.1.data/scripts/curator-workflow |
sha256=pWyUGh5hgTE9qxCdR5jkYJepS11RJgxRgMIXt0I7yPA
|
10994 |
curator_torch-1.1.1.dist-info/METADATA |
sha256=Z4hruocKRbqdoaXH2VfIVuOoVgvHu_32KrClrKC6eRc
|
498 |
curator_torch-1.1.1.dist-info/WHEEL |
sha256=WDDPHYzpiOIm6GP1C2_8y8W6q16ICddAgOHlhTje9Qc
|
109 |
curator_torch-1.1.1.dist-info/top_level.txt |
sha256=yxcYOwO0ZBw4LcfA7Nhrqq81XvQ1QO4XRcVmWw60Rk0
|
8 |
curator_torch-1.1.1.dist-info/RECORD |
— |
— |