spbnet

View on PyPIReverse Dependencies (0)

0.0.26 spbnet-0.0.26-py3-none-any.whl

Wheel Details

Project: spbnet
Version: 0.0.26
Filename: spbnet-0.0.26-py3-none-any.whl
Download: [link]
Size: 1104496
MD5: b471ca0f34591e474adf3ad35a624cbe
SHA256: 3227475174528eec08b7a9dbb6fb50874077f0ebb3b9f4408aa6f4850dc8f3dd
Uploaded: 2024-07-17 17:44:56 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: spbnet
Version: 0.0.26
Summary: spbnet
Author: Jiawen Zou
Author-Email: 20307130189[at]fudan.edu.cn
Home-Page: https://tyvanzou.github.io/spbnet/
Download-Url: https://github.com/tyvanzou/spbnet
Requires-Dist: ase (==3.22.1)
Requires-Dist: matplotlib (==3.7.5)
Requires-Dist: numpy (==1.24.4)
Requires-Dist: pandas (==2.0.3)
Requires-Dist: pymatgen (==2023.8.10)
Requires-Dist: requests (==2.31.0)
Requires-Dist: scipy (==1.10.1)
Requires-Dist: tqdm (==4.66.2)
Requires-Dist: torch (==2.2.2)
Requires-Dist: lightning (==2.2.1)
Requires-Dist: transformers (==4.39.1)
Requires-Dist: einops (==0.7.0)
Requires-Dist: timm (==0.9.16)
Requires-Dist: tensorboard (==2.14.0)
Requires-Dist: scikit-learn (==1.3.2)
Requires-Dist: seaborn (==0.13.2)
Requires-Dist: colorama (==0.4.6)
Description-Content-Type: text/markdown
License-File: LICENSE.txt
[Description omitted; length: 9658 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.42.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
spbnet/__init__.py sha256=8XyWN5jP4qrHWRSN3YdA3ju3g512C13UqTsDYcB-h78 117
spbnet/config.finetune.yaml sha256=PHVb11a1Wv33RukWJrJ2CFhbNTnvHklQBOPtYaL1H3Y 960
spbnet/config.predict.yaml sha256=QXLQJo4WW8YaIF1I0gQE1G4ZZLpa5XZjIS66CqLEL6o 913
spbnet/config.pretrain.yaml sha256=QKgqqlK0_rN1WBJqzcA4kL-f6YvkypZDdLIhUmV5j2Q 845
spbnet/finetune.py sha256=aQYxVwz5CYVKwlFMBul0s3gQeK-ZWgnKXbVXssDttUg 9945
spbnet/predict.py sha256=sMfsn8lA_e_t8B9OQ6_U8u49RHgi5Bkzbq4Ml5ZSPoQ 5404
spbnet/pretrain.py sha256=BgNAQrztj6Fv7GG_sOjsTEVl_sbKykRBjAlEIUQ5cB0 10194
spbnet/cli/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
spbnet/cli/attn.py sha256=B7q7UnumimvSEbG4Vn4dzlJrzG2hrSI8bgcZ9AxHfVU 1128
spbnet/cli/buildAtomGrid.py sha256=A0Ukiik5yxFoqwB8NoqYDSw9GHrePwur0Sl91Bs6mZ0 1472
spbnet/cli/buildData.py sha256=g4MLJoPTFdDW_0XyEKg9B2K2L5qKTCDmhcOepMcSLHk 2629
spbnet/cli/buildModalData.py sha256=KafsC0BxStjCiFcYie55uJQCRfZsjlwaqD_i67OhEi8 650
spbnet/cli/calcAtomNum.py sha256=XL0jizOR7nVfHKKaI1GslxKYlPwJa2puXqZzRJwqU_E 1200
spbnet/cli/calcMeanStd.py sha256=qxFN_SSrH2nb7vRL7Y3kXwXL3CnStpSwDsnF4h5U57w 1013
spbnet/cli/checkData.py sha256=SipP0coDCeYVngRTuhoHabLuftGEvSZh89G5MyP9kIE 1671
spbnet/cli/filterData.py sha256=AElOUx4ycv9a4sEyISp16xIPy5dWPBuQ8-ARb1LgDIc 1846
spbnet/cli/installMake.py sha256=Y06VM4UMPpVYlMRKczkR7cgeFslpqDvcYzslsk5k7w4 353
spbnet/cli/main.py sha256=_tHFDAE3Mk8aZIA1EMJ8mgNNk3e_7a_yt-HLCR4ffc8 3353
spbnet/cli/makeGriday.py sha256=J-RjdMNZ_FrH5HJcIcvZBRZPYvgaowiwFu2n1OGdFG8 322
spbnet/cli/uninstallGriday.py sha256=hm28jr9ZWpzUYrNYTjotWFHTLSOKqjejVwrpbkCGAU8 294
spbnet/data/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
spbnet/data/buildAtomGrid.py sha256=knJjqIBvDM-Fh3CAAPMhG6wi8IeEO0E2_N6G-lePsCI 2460
spbnet/data/buildData.py sha256=zID6YtjRWB2h__3gkzWMPenfDb_fQL7hP31MoBYnj64 3016
spbnet/data/calcAtomNum.py sha256=XYXnt4Wx_RTUrlN3hdWCqD8Z0h1a1oLjVHxyDa5hbgA 987
spbnet/data/calcMeanStd.py sha256=j6NHZGxlpBSTicyCj0etB3Qjv6HwqorgAS0aR6thwMo 586
spbnet/data/checkData.py sha256=UFjyzigw1zLhUWot63LAX9-YvjIQ1yU8r5M_Wtbe-tU 2379
spbnet/data/dataset.py sha256=hjg82Pa0piFxiHtAm8hdgdfV38DRHc7Yez11fONNv30 7991
spbnet/data/dataset_feat.py sha256=vN1LmvBFUduvPjzuCXGOo0MJnR7JupENM302s0Y6cJM 10337
spbnet/data/dataset_predict.py sha256=-EaTuykgIh3zkUQRzlc4uJmFlPPvvrFkyruY8xfDRI4 7907
spbnet/data/dataset_pretrain.py sha256=5pqJxFq8-eIzWjzyZZwD2J3QAFRR4X0b70tR0mKNAi8 10325
spbnet/data/filterData.py sha256=nW8bcZNRLZJ2qHlp5xB6Vp-utE2lxY2Bev2OGXc4Dh4 4362
spbnet/data/float2int8.py sha256=qnLWncUqpLOsOkuqKpGtRF8Mj0mDiByZinOjRUSwWhA 1186
spbnet/data/install_griday.py sha256=hCvO8W9cUdFhOH8bXSxYgOfzKnmymtTGpZ7aOQwAJZQ 2977
spbnet/data/prepare_data.py sha256=N835QPQtaQ8PtbvZW99nh3O_3ApB7DxhWZQuj0uggxs 8776
spbnet/data/libs/GRIDAY/AtomTypeMap.cpp sha256=a5-9X01RYafHKag4cTICmDRu_5RYd2uu7gWuPGOWG7A 2799
spbnet/data/libs/GRIDAY/AtomTypeMap.hpp sha256=BrAgzD29m9GBQNSAnfasWJZq-lkJbWVA9kQQd7Za__g 654
spbnet/data/libs/GRIDAY/AtomTypeMap.o sha256=ZT5wUHrYOSOp48M7a5PkRHKTccjvCS0QsJFsTnavl7M 41784
spbnet/data/libs/GRIDAY/Cell.hpp sha256=PLZOBq4ZWkj1m_z5eEV9V2GY5t7PUeXR5du11h8IurU 2448
spbnet/data/libs/GRIDAY/ChannelAnalyzer.cpp sha256=D2kB5p20m9Jqh2LQcbM9aerZJIQ-jq1CnUdgkPUoxRU 7789
spbnet/data/libs/GRIDAY/ChannelAnalyzer.hpp sha256=-M-mqcl8KFImhlnz19rb25zX3UUZAIFHHjmRWv-g8A0 414
spbnet/data/libs/GRIDAY/ChannelAnalyzer.o sha256=aJMrfChTNINCJ97Tbq5mhD9QZLHe6y7aFCdGdmAzGFM 32976
spbnet/data/libs/GRIDAY/EnergyGrid.cpp sha256=6o-GiAjGe6K4fy5B-SjvdPNV7ZkXdlr5FhoB0IMXCmo 54588
spbnet/data/libs/GRIDAY/EnergyGrid.cpp-backup sha256=cwHpH6THjz6pXToR79V9LUjlE4d2EKS3mAdJ_pXJ4uY 18619
spbnet/data/libs/GRIDAY/EnergyGrid.hpp sha256=bUhRLbp9cnTnK8EiWpsrsRbQyMpQSb_L-59LhxhMInc 3812
spbnet/data/libs/GRIDAY/EnergyGrid.o sha256=WT6jDmSok5SkxtiXqLV8wRJ5cIybvLb8N0xbNS04Edw 141872
spbnet/data/libs/GRIDAY/ForceField.cpp sha256=Dd-9Wws_WngCysnIRxue9cPfJrFnTX4Ik8wbf4sdOUo 7197
spbnet/data/libs/GRIDAY/ForceField.hpp sha256=NXrPL-tR5kfab4YJUaZ4Q9n9l0c9mE7wcoX8DRY8yRE 866
spbnet/data/libs/GRIDAY/ForceField.o sha256=_iyzo3G8VaRaVCf589lLJdFsGCJUy-bpTiNTtaTWXzM 70448
spbnet/data/libs/GRIDAY/FourierAnalyzer.cpp sha256=5Fa98BDwopd5ay_rX5Nud1NLBIRU3sQjVPds3CD6gKg 13991
spbnet/data/libs/GRIDAY/FourierAnalyzer.hpp sha256=OnoF1oig6IhDtovwDsujgpPQ1WYmYR0YOmDdJAc4dVI 865
spbnet/data/libs/GRIDAY/FourierAnalyzer.o sha256=8h_yIoBIaa-nlBq5tVCRW2KkvrN0nN3gdth4xmmlFyk 57072
spbnet/data/libs/GRIDAY/Framework.cpp sha256=1YAgncu-ab6ljIooYw1Q3ZYUYTjPF6oK-sKdrHmxLKk 7362
spbnet/data/libs/GRIDAY/Framework.hpp sha256=4gyFBus0tbjSskNKQvr1TqTmKfd1fBvTqFzdV7_EJpg 1197
spbnet/data/libs/GRIDAY/Framework.o sha256=fcs_-zfKvjSCBvx14Hv1XOoS4iPnTA3wRMk3e-1TW1c 47744
spbnet/data/libs/GRIDAY/Gaussian.cpp sha256=_qgbX8Bk6rs-snBM1UtNByqG_gQVNFdmgk2BDDZi1pA 3007
spbnet/data/libs/GRIDAY/Gaussian.hpp sha256=UryHtA060VAd2lPbvmNuKo6UH5jWUANh3vQdqsSa1O0 776
spbnet/data/libs/GRIDAY/Gaussian.o sha256=zHyLR-3AS1qYizYH9Z9nS5etZYD7BKaFvXpztRdR9n8 14360
spbnet/data/libs/GRIDAY/GridMaker.cpp sha256=W9DpFdkqpmxo7qJ2PVxkzIAIvBxIFqpWmfnMn0IONss 9534
spbnet/data/libs/GRIDAY/GridMaker.hpp sha256=t_a8vYufpa5p150f2YsNtjbGeoB73J51ruFTM4bpgCY 936
spbnet/data/libs/GRIDAY/GridMaker.o sha256=t68wouHWt8Hp5jqzjdsyOoU2wm4hydaKzGKI3WSZYQk 83296
spbnet/data/libs/GRIDAY/Griday.hpp sha256=VUEB6OedjFehbuEm00-oqj8hbDjgM4mEduP0YRtegxg 320
spbnet/data/libs/GRIDAY/GridayException.cpp sha256=9PJKI9frD7wJocLJLCZ0NUPHA1UwMIG-n9dQ86CsvLA 948
spbnet/data/libs/GRIDAY/GridayException.hpp sha256=cHEDk5Jy-reUGlOEJ58KT4QIzTi27qMGlYDOVYIgDfA 669
spbnet/data/libs/GRIDAY/GridayException.o sha256=m9q7Fo06rWZl9b_OrwBvemcXNxHwkA481fkEqQO4sMk 15888
spbnet/data/libs/GRIDAY/GridayTypes.hpp sha256=3m2N6Qf8teciYpXHgnVEMSVk9IPtI43ytwB9tm5N5ag 567
spbnet/data/libs/GRIDAY/LennardJones.cpp sha256=4s8k3RDN-RtlOb0_ZoxBenSNPNPL8aZAAKvV-OiNd8o 4380
spbnet/data/libs/GRIDAY/LennardJones.hpp sha256=8czhrwfPSUolvMpdrHwJmtflcZVLn7GVjwu0RPSBANY 776
spbnet/data/libs/GRIDAY/LennardJones.o sha256=JFEUFrb2AOp11MKaefuYKlVfBpj3BJ5LmiulgbTo3UY 14240
spbnet/data/libs/GRIDAY/Makefile sha256=xwdB9WPeOEF81BfGxlV-QkXfHkhLfqpFeRg1HyaZeto 334
spbnet/data/libs/GRIDAY/MaterialGrid.cpp sha256=Q4vWSfYSjNNnEHeXX_dZUhpI_HF9hKPdTsPcCQhKyFs 21824
spbnet/data/libs/GRIDAY/MaterialGrid.hpp sha256=oyf-nPdJKnHLkqsX7VbHFvwYgkOyl7ssdAh3HbUP_oo 2366
spbnet/data/libs/GRIDAY/MaterialGrid.o sha256=4ub46gTozeetVZFMRgg0vCuqo0vfv9s33C2E1OaTnKs 76688
spbnet/data/libs/GRIDAY/NlistMaker.cpp sha256=kwIbiwJXD02ppQ3KId46v7UFwKT4wkjMmsnXbrMq48k 5664
spbnet/data/libs/GRIDAY/NlistMaker.hpp sha256=QfyxD59_KWIAbXPEGy9djOlxw15ndU3yp3QM2xtp7OI 922
spbnet/data/libs/GRIDAY/NlistMaker.o sha256=3q-FebTtCVDRoC4oKXAWbpjnhzfqBpv3SVENKhcL-04 69080
spbnet/data/libs/GRIDAY/PairEnergy.hpp sha256=mts7rSxZDPEVYrPx5Wy-2WxEnyNQYQOEVwuvNPNChnw 730
spbnet/data/libs/GRIDAY/Random.hpp sha256=NHdIpiqFKo5uibA_m7YRxoYvCuRYlqgYtkWRXjXjZNU 570
spbnet/data/libs/GRIDAY/ShiftedLJ.cpp sha256=hVjNyQuWHKPiKnz2wpdAOLLa5xAHr-u8cL-miNRlYck 5106
spbnet/data/libs/GRIDAY/ShiftedLJ.hpp sha256=cHsJ59l2W9ZxDYUU0v5f11gUwl3031258qsDAyefJaE 764
spbnet/data/libs/GRIDAY/ShiftedLJ.o sha256=-GjST7RJzUzdp657D_afmVPR9ExFdnHVg9XuViXU1o4 14704
spbnet/data/libs/GRIDAY/Timer.hpp sha256=r_ZMzhGn4bchk2Yk_EylT7aqukTeriYBn-JDtTnNxlg 811
spbnet/data/libs/GRIDAY/Vector.hpp sha256=8-Bl37Wg8_XoIVCA6tKg42QvHOERCvu4RDXKNnmyh4E 2277
spbnet/data/libs/GRIDAY/libgriday.a sha256=1ntWujDINsiOHFvjs4i6JT_k3J-8CcTLQZ10xfvxhCQ 705504
spbnet/data/libs/GRIDAY/FF/UFF_FF.def sha256=0up5--ue_90HWWcFnw_1sY8-Uhd-YvMopsyKDZsBnkg 4751
spbnet/data/libs/GRIDAY/FF/UFF_Type.def sha256=chA9aE0uF-Aadkl36IP5Ih9V9--qGoB63i-9W8t7WKM 845
spbnet/data/libs/GRIDAY/FF/Zeolite_FF.def sha256=MmndtWJpIusa2zeu5WtAwcEa4m94V43yNfT_heC-4mk 202
spbnet/data/libs/GRIDAY/FF/Zeolite_FF_Shifted.def sha256=b_CWDBinomrsl2L8tJKuM5SXATdgo_9lF2rtADw7B3I 190
spbnet/data/libs/GRIDAY/FF/Zeolite_Gau_O.def sha256=StOM0SS_NwX1L5b2MiGUZctJoqGj38bRbvMKorSMCaA 228
spbnet/data/libs/GRIDAY/FF/Zeolite_Gau_O_Si.def sha256=V0dtfHG1bQIQ5qIg7hYQlBzLs1KQakSr_JJCevCcLfI 318
spbnet/data/libs/GRIDAY/FF/Zeolite_Gau_Si.def sha256=5FUeQOxs03AIL6WsPb7rN9o7P2qNpHXTzBCb5PfKYw0 228
spbnet/data/libs/GRIDAY/FF/Zeolite_Type.def sha256=TZfWGySdVELHhV9g7-0QoYrQHbtiEw6ldo0jI9MsBkw 26
spbnet/data/libs/GRIDAY/scripts/Makefile sha256=BW1wnGroUZBjjTlfeRwjkvpDpj9XGCqTZd_Lc4fb_98 563
spbnet/data/libs/GRIDAY/scripts/adsorption_properties.cpp sha256=kUeqTq3MJJDiMrEJeDy0hXZzaSTZmEW5xbtALpSL5L0 5834
spbnet/data/libs/GRIDAY/scripts/grid_gen sha256=cN_cfA3GW4-kg6InGlYlTzFGiJfyyq-ia5a1Oq9tuG4 161448
spbnet/data/libs/GRIDAY/scripts/main_cota.cpp sha256=CkA0myA-4PfHxZHFtXMh8r-X1Xu3voBuU1MG5p237iA 1046
spbnet/data/libs/GRIDAY/scripts/main_make_egrid.cpp sha256=IodetQ-l0pbDopzegQ16-lOIKxa9B6Xa0OvTgVTIP3E 1742
spbnet/data/libs/GRIDAY/scripts/main_visit.cpp sha256=zYX8Uey-nes7IE-4AQ_rmtYfHQLpZ1dout3QAXkSYZo 900
spbnet/data/libs/GRIDAYS/AtomTypeMap.cpp sha256=a5-9X01RYafHKag4cTICmDRu_5RYd2uu7gWuPGOWG7A 2799
spbnet/data/libs/GRIDAYS/AtomTypeMap.hpp sha256=BrAgzD29m9GBQNSAnfasWJZq-lkJbWVA9kQQd7Za__g 654
spbnet/data/libs/GRIDAYS/AtomTypeMap.o sha256=ZT5wUHrYOSOp48M7a5PkRHKTccjvCS0QsJFsTnavl7M 41784
spbnet/data/libs/GRIDAYS/Cell.hpp sha256=PLZOBq4ZWkj1m_z5eEV9V2GY5t7PUeXR5du11h8IurU 2448
spbnet/data/libs/GRIDAYS/ChannelAnalyzer.cpp sha256=D2kB5p20m9Jqh2LQcbM9aerZJIQ-jq1CnUdgkPUoxRU 7789
spbnet/data/libs/GRIDAYS/ChannelAnalyzer.hpp sha256=-M-mqcl8KFImhlnz19rb25zX3UUZAIFHHjmRWv-g8A0 414
spbnet/data/libs/GRIDAYS/ChannelAnalyzer.o sha256=aJMrfChTNINCJ97Tbq5mhD9QZLHe6y7aFCdGdmAzGFM 32976
spbnet/data/libs/GRIDAYS/EnergyGrid.cpp sha256=6o-GiAjGe6K4fy5B-SjvdPNV7ZkXdlr5FhoB0IMXCmo 54588
spbnet/data/libs/GRIDAYS/EnergyGrid.cpp-backup sha256=cwHpH6THjz6pXToR79V9LUjlE4d2EKS3mAdJ_pXJ4uY 18619
spbnet/data/libs/GRIDAYS/EnergyGrid.hpp sha256=bUhRLbp9cnTnK8EiWpsrsRbQyMpQSb_L-59LhxhMInc 3812
spbnet/data/libs/GRIDAYS/EnergyGrid.o sha256=WT6jDmSok5SkxtiXqLV8wRJ5cIybvLb8N0xbNS04Edw 141872
spbnet/data/libs/GRIDAYS/ForceField.cpp sha256=KvVuIApLBqUswgS25-tEX67ksHjOjF9hj46mii0MLLk 6359
spbnet/data/libs/GRIDAYS/ForceField.hpp sha256=NXrPL-tR5kfab4YJUaZ4Q9n9l0c9mE7wcoX8DRY8yRE 866
spbnet/data/libs/GRIDAYS/ForceField.o sha256=UhM-q8FvQk4yKCgasCohCVTt6WDrgmDnNxaHwib57ac 66640
spbnet/data/libs/GRIDAYS/FourierAnalyzer.cpp sha256=5Fa98BDwopd5ay_rX5Nud1NLBIRU3sQjVPds3CD6gKg 13991
spbnet/data/libs/GRIDAYS/FourierAnalyzer.hpp sha256=OnoF1oig6IhDtovwDsujgpPQ1WYmYR0YOmDdJAc4dVI 865
spbnet/data/libs/GRIDAYS/FourierAnalyzer.o sha256=8h_yIoBIaa-nlBq5tVCRW2KkvrN0nN3gdth4xmmlFyk 57072
spbnet/data/libs/GRIDAYS/Framework.cpp sha256=1YAgncu-ab6ljIooYw1Q3ZYUYTjPF6oK-sKdrHmxLKk 7362
spbnet/data/libs/GRIDAYS/Framework.hpp sha256=4gyFBus0tbjSskNKQvr1TqTmKfd1fBvTqFzdV7_EJpg 1197
spbnet/data/libs/GRIDAYS/Framework.o sha256=fcs_-zfKvjSCBvx14Hv1XOoS4iPnTA3wRMk3e-1TW1c 47744
spbnet/data/libs/GRIDAYS/GridMaker.cpp sha256=-0d5kRoEf9F7sPu2D-u0qJCIULpU_bwjN4GaO6W9CDo 9062
spbnet/data/libs/GRIDAYS/GridMaker.hpp sha256=t_a8vYufpa5p150f2YsNtjbGeoB73J51ruFTM4bpgCY 936
spbnet/data/libs/GRIDAYS/GridMaker.o sha256=iBOIxVtzMNCbVhY7usheWs3oU5honRlz8IsNS8DCO70 81752
spbnet/data/libs/GRIDAYS/Griday.hpp sha256=VUEB6OedjFehbuEm00-oqj8hbDjgM4mEduP0YRtegxg 320
spbnet/data/libs/GRIDAYS/GridayException.cpp sha256=9PJKI9frD7wJocLJLCZ0NUPHA1UwMIG-n9dQ86CsvLA 948
spbnet/data/libs/GRIDAYS/GridayException.hpp sha256=cHEDk5Jy-reUGlOEJ58KT4QIzTi27qMGlYDOVYIgDfA 669
spbnet/data/libs/GRIDAYS/GridayException.o sha256=m9q7Fo06rWZl9b_OrwBvemcXNxHwkA481fkEqQO4sMk 15888
spbnet/data/libs/GRIDAYS/GridayTypes.hpp sha256=GiN0bvhqrbNMsG1neZLoFDe0kehdfM1VPIn8TSSbkrg 534
spbnet/data/libs/GRIDAYS/LennardJones.cpp sha256=G-EGFx40zzCaAi-Nfd04XLANfPBrO-e4nY8byPpqoAs 4332
spbnet/data/libs/GRIDAYS/LennardJones.hpp sha256=5BYwsd3d3nawcJqfw9ec9RyBYlX7PmGfI5poAHuoaIk 747
spbnet/data/libs/GRIDAYS/LennardJones.o sha256=xASxWVNYYWTukzJGsXslRGAL3mekDO_bvN6i0jxalHw 17592
spbnet/data/libs/GRIDAYS/Makefile sha256=xwdB9WPeOEF81BfGxlV-QkXfHkhLfqpFeRg1HyaZeto 334
spbnet/data/libs/GRIDAYS/MaterialGrid.cpp sha256=Q4vWSfYSjNNnEHeXX_dZUhpI_HF9hKPdTsPcCQhKyFs 21824
spbnet/data/libs/GRIDAYS/MaterialGrid.hpp sha256=oyf-nPdJKnHLkqsX7VbHFvwYgkOyl7ssdAh3HbUP_oo 2366
spbnet/data/libs/GRIDAYS/MaterialGrid.o sha256=4ub46gTozeetVZFMRgg0vCuqo0vfv9s33C2E1OaTnKs 76688
spbnet/data/libs/GRIDAYS/NlistMaker.cpp sha256=kwIbiwJXD02ppQ3KId46v7UFwKT4wkjMmsnXbrMq48k 5664
spbnet/data/libs/GRIDAYS/NlistMaker.hpp sha256=QfyxD59_KWIAbXPEGy9djOlxw15ndU3yp3QM2xtp7OI 922
spbnet/data/libs/GRIDAYS/NlistMaker.o sha256=3q-FebTtCVDRoC4oKXAWbpjnhzfqBpv3SVENKhcL-04 69080
spbnet/data/libs/GRIDAYS/PairEnergy.hpp sha256=FnsW7j3o3gzuKpHuk9vcfS7zYzJSiC1XfkaJb1Mnqfg 756
spbnet/data/libs/GRIDAYS/Random.hpp sha256=NHdIpiqFKo5uibA_m7YRxoYvCuRYlqgYtkWRXjXjZNU 570
spbnet/data/libs/GRIDAYS/Timer.hpp sha256=r_ZMzhGn4bchk2Yk_EylT7aqukTeriYBn-JDtTnNxlg 811
spbnet/data/libs/GRIDAYS/Vector.hpp sha256=8-Bl37Wg8_XoIVCA6tKg42QvHOERCvu4RDXKNnmyh4E 2277
spbnet/data/libs/GRIDAYS/libgriday.a sha256=DZDZZjp5Mx220qSDrBZUUY6OehPY5h5MropD3bQOiNg 672770
spbnet/data/libs/GRIDAYS/FF/UFF_FF.def sha256=0up5--ue_90HWWcFnw_1sY8-Uhd-YvMopsyKDZsBnkg 4751
spbnet/data/libs/GRIDAYS/FF/UFF_Type.def sha256=chA9aE0uF-Aadkl36IP5Ih9V9--qGoB63i-9W8t7WKM 845
spbnet/data/libs/GRIDAYS/FF/Zeolite_FF.def sha256=MmndtWJpIusa2zeu5WtAwcEa4m94V43yNfT_heC-4mk 202
spbnet/data/libs/GRIDAYS/FF/Zeolite_FF_Shifted.def sha256=b_CWDBinomrsl2L8tJKuM5SXATdgo_9lF2rtADw7B3I 190
spbnet/data/libs/GRIDAYS/FF/Zeolite_Gau_O.def sha256=StOM0SS_NwX1L5b2MiGUZctJoqGj38bRbvMKorSMCaA 228
spbnet/data/libs/GRIDAYS/FF/Zeolite_Gau_O_Si.def sha256=V0dtfHG1bQIQ5qIg7hYQlBzLs1KQakSr_JJCevCcLfI 318
spbnet/data/libs/GRIDAYS/FF/Zeolite_Gau_Si.def sha256=5FUeQOxs03AIL6WsPb7rN9o7P2qNpHXTzBCb5PfKYw0 228
spbnet/data/libs/GRIDAYS/FF/Zeolite_Type.def sha256=TZfWGySdVELHhV9g7-0QoYrQHbtiEw6ldo0jI9MsBkw 26
spbnet/data/libs/GRIDAYS/scripts/Makefile sha256=BW1wnGroUZBjjTlfeRwjkvpDpj9XGCqTZd_Lc4fb_98 563
spbnet/data/libs/GRIDAYS/scripts/adsorption_properties.cpp sha256=kUeqTq3MJJDiMrEJeDy0hXZzaSTZmEW5xbtALpSL5L0 5834
spbnet/data/libs/GRIDAYS/scripts/grid_gen sha256=wWyhteipluPylkqDyKenIHIzJyAs2Sq5Co19ZdYpv5M 155304
spbnet/data/libs/GRIDAYS/scripts/main_cota.cpp sha256=CkA0myA-4PfHxZHFtXMh8r-X1Xu3voBuU1MG5p237iA 1046
spbnet/data/libs/GRIDAYS/scripts/main_make_egrid.cpp sha256=IodetQ-l0pbDopzegQ16-lOIKxa9B6Xa0OvTgVTIP3E 1742
spbnet/data/libs/GRIDAYS/scripts/main_visit.cpp sha256=zYX8Uey-nes7IE-4AQ_rmtYfHQLpZ1dout3QAXkSYZo 900
spbnet/modules/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
spbnet/modules/cgcnn.py sha256=NXKeZoOB4fw_DGMm3d3H_C3urszoR71Pc5xU8TB2z4Q 10721
spbnet/modules/heads.py sha256=uWtlXIK0zt6XgWjLmW6a1Db1coulRS409PvqAzBwGno 3242
spbnet/modules/module.py sha256=Uh2JcgMU15QLd5eWFqJ_Oy-2ATuZRj9uN5hH9d--duU 14902
spbnet/modules/objectives.py sha256=ewdLrfrOFQThIFyWQjiT6B4L_yDF1RQm1PA9Otz6Ap4 462
spbnet/modules/optimize.py sha256=NBJng1f4WalW9OGz19CeEZC-J29_Mw8auZZ9Bomm3hE 5395
spbnet/modules/transformer.py sha256=lxevvdoZQ3apuAbGi1HQkeuao_tRABPyztEEIRku7yA 820
spbnet/modules/vision_transformer_3d.py sha256=sxfCMpg1zIPaqRW9ndATHmL67E9Dtb0Gb6H7dUtHodo 12795
spbnet/utils/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
spbnet/utils/echo.py sha256=Endai2ZYDTTRKrod1w2WJ9Q49wtz2oTsgTpGKbN44gU 793
spbnet/visualize/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
spbnet/visualize/agc.py sha256=3IqTvTRfRkfLdR8wKqZt4h9faCzRuKM4g9oGiWU-cr4 6303
spbnet/visualize/attn.py sha256=eLebXSDGb8DLu1Lrd3qbvXbvn_o6FBY5k2fyIW4WYB0 5350
spbnet/visualize/buildModalData.py sha256=VvKhi-OVI3iYyY0TdAp8BQFCnHJ5Rc70QoEvYX5xYJI 4283
spbnet/visualize/config.yaml sha256=OVkJ9XLCSLFC1m3c_ZPpqa7ZxZTtzI4jHIsCM500kMw 1651
spbnet/visualize/feat.py sha256=0VYMVPQb_fo0qZNmn9IGdmFs_r_VY1rxUFJLslphqiU 10715
spbnet/visualize/predAgc.py sha256=UlkfF2oPFDLgTLlTsIOjKbsuzLgJM-eCFpEyzETaq4Y 3695
spbnet/visualize/prepare_data.py sha256=sTWPCEdfBeWNKnI7wl0VhLstT91pEjfjO6wH_Kiiqag 16198
spbnet/visualize/self_attn.heatmap.py sha256=533gZ3oS3KV4sTnKErtDY4XcNXNlkZwfjkHZM3NS3tM 2485
spbnet/visualize/self_attn.lineplot.py sha256=JdJv4hVWSFchHvDwtdzxdDadwtsWwgl5vlkuFn9m2K8 2891
spbnet/visualize/transfer.py sha256=KcYjAZ0xoimEoAOGKigNFGxOQw5L9zRhEFmgh2Va0tk 3651
spbnet/visualize/utils.py sha256=EIX06IaZDAQZTIJXW8oss6PJ3H02TNGhnIvJDX6jKeo 6055
spbnet/visualize/template/attn.html sha256=dWnrIAVf3CE7TCwopkUiYGjxKEQbEGF49LeiDNNfDA8 1639
spbnet-0.0.26.dist-info/LICENSE.txt sha256=pAZXnNE2dxxwXFIduGyn1gpvPefJtUYOYZOi3yeGG94 1068
spbnet-0.0.26.dist-info/METADATA sha256=h3kHXqTB9N7lYqzYQCJvl6NEYikrYQGey8gGJgdrmNw 10579
spbnet-0.0.26.dist-info/WHEEL sha256=oiQVh_5PnQM0E3gPdiz09WCNmwiHDMaGer_elqB3coM 92
spbnet-0.0.26.dist-info/entry_points.txt sha256=hBiOX8pq4fu1I1-b-iKUm-8EVvzUxf9aizSGfw_bo3A 48
spbnet-0.0.26.dist-info/top_level.txt sha256=X-h9sg9TFIM6RnhhQkgfz3CyT5VYcP7l_2zsj5odcOM 7
spbnet-0.0.26.dist-info/RECORD

top_level.txt

spbnet

entry_points.txt

spbnet = spbnet.cli.main:main