ai2-kit

View on PyPIReverse Dependencies (4)

0.21.4 ai2_kit-0.21.4-py3-none-any.whl

Wheel Details

Project: ai2-kit
Version: 0.21.4
Filename: ai2_kit-0.21.4-py3-none-any.whl
Download: [link]
Size: 116510
MD5: 71b60afd39ee5e9dc972ee59dcff5f31
SHA256: beb92c63b01a7d74d552727c803658626166dc235729dbf388c03eeb01061c0f
Uploaded: 2024-11-11 04:07:06 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: ai2-kit
Version: 0.21.4
Author: weihong.xu
Author-Email: xuweihong.cn[at]gmail.com
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.9,<4.0
Requires-Dist: allpairspy (<3.0.0,>=2.5.0)
Requires-Dist: asaplib (<0.0.3,>=0.0.2); extra == "all"
Requires-Dist: ase (<4.0.0,>=3.22.1)
Requires-Dist: cloudpickle (<3.0.0,>=2.2.0)
Requires-Dist: dpdata (==0.2.18)
Requires-Dist: dscribe (==1.2.2); extra == "all"
Requires-Dist: fabric (<3.0.0,>=2.7.1)
Requires-Dist: fire (<0.6.0,>=0.5.0)
Requires-Dist: invoke (<2.0.0,>=1.7.3)
Requires-Dist: ipympl (<0.10.0,>=0.9.3); extra == "all"
Requires-Dist: joblib (<2.0.0,>=1.2.0)
Requires-Dist: jupyter-formily (==0.0.7); extra == "all"
Requires-Dist: mdanalysis (<3.0.0,>=2.4.3)
Requires-Dist: netcdf4 (<2.0.0,>=1.7.1.post1)
Requires-Dist: pandas (<2.0.0,>=1.5.3)
Requires-Dist: psutil (<6.0.0,>=5.9.8)
Requires-Dist: pydantic (==2.8.2)
Requires-Dist: pymatgen (<2024.0.0,>=2023.2.22)
Requires-Dist: ruamel-yaml (<0.18.0,>=0.17.21)
Requires-Dist: scipy (<2.0.0,>=1.13.0)
Requires-Dist: shortuuid (<2.0.0,>=1.0.11)
Requires-Dist: tabulate (<0.10.0,>=0.9.0)
Provides-Extra: all
Description-Content-Type: text/markdown
[Description omitted; length: 2927 characters]

WHEEL

Wheel-Version: 1.0
Generator: poetry-core 1.9.0
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
ai2_kit/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ai2_kit/algorithm/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ai2_kit/algorithm/aos_analysis.py sha256=wdYoYiabZ_0keWek2926if40WZjB90ygG3LDDFF8Y_8 6072
ai2_kit/algorithm/proton_transfer.py sha256=pXmGFy8Elc3ZTx-2rAo5t-gBAxHBLSYZz96OvDeyH5s 14218
ai2_kit/algorithm/reweighting.py sha256=Fjs2_zrYCyAic_j5Z06284ooS6G50THi-W1VYfBuu8o 6766
ai2_kit/core/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ai2_kit/core/artifact.py sha256=MMvl_DiJ5P7TdPEmx3ZSF_bjU74JFU0ZiUJFXGDznic 1817
ai2_kit/core/checkpoint.py sha256=hc8Eepf97lhHqygVOANRBeA9zTXw6kepviT_bfDjEaw 4463
ai2_kit/core/cmd.py sha256=KJcvwwadEE-KHoxLtnZZzUKyCdVl6Nwx_Vy2Iv-E4Os 169
ai2_kit/core/connector.py sha256=MM5JtyFhVgL_xxVMT7SqYsqo5j3vn6aeFYroBMga_f8 5967
ai2_kit/core/executor.py sha256=GPIDYeL9uhQgy2mBIjk_B-CC9cJCWix4EwY-nmFl9YQ 9350
ai2_kit/core/future.py sha256=ee-AOSdTrSRsRKCRw-vvob_lk8g5d7uO3L9groRAjJQ 365
ai2_kit/core/job.py sha256=yVhTbrE8byynj7OiKit2qTd-i7IhxpyZOMMI_0QVlU0 1991
ai2_kit/core/log.py sha256=XRxIYb_AVK_TqGORszaZeIE7FCYl4Pk8B3Fudz-4k1c 410
ai2_kit/core/pydantic.py sha256=NOSZ1hp9ihvuao27fD7OOy9C5eNLrlqeoiFmhfX6HD4 110
ai2_kit/core/queue_system.py sha256=XrPxtw52MRuTANyavOqAAjoWyFxkaKz_rDiU1ewq41I 13885
ai2_kit/core/resource_manager.py sha256=7pIBviDzf9fFh1XJw5Yzo8dM3pAXkdG3cGH7qoCS4ms 2663
ai2_kit/core/script.py sha256=PKWWIbKQOe7IbpX1xUH3tqHss_Zuy9ULuqGsVCP3AWw 3287
ai2_kit/core/util.py sha256=PUXWRC3VNpK4jtSp8Aj0rGsZda9T5lzQYf76VEhBNfU 11051
ai2_kit/dflow/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ai2_kit/domain/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ai2_kit/domain/anyware.py sha256=mJctn7qEFRqCodw7Qok92c8hRZFKuUP5cY9JXlgvYIk 10250
ai2_kit/domain/asap.py sha256=hvErv_ks7HhC6T09jmVQPAVryhD_lSVDfttCXxChjuI 4894
ai2_kit/domain/constant.py sha256=_5WMZh8noYd19pDu81fHB2tGdDTVMPXzqVeTrDrAGtc 4765
ai2_kit/domain/cp2k.py sha256=zlQSmi0tYwbJ1XosOCw2iq4ivlPZiMdjIYRrNo6AKH8 9256
ai2_kit/domain/data.py sha256=fmXsWy-HhepXyiHeZdFpQQRHwOSXl4KoIAyR8jtd-6U 3739
ai2_kit/domain/deepmd.py sha256=EZHwivrsXSd8uCHCSamboJgokTuceturdToX1QsQsgo 23510
ai2_kit/domain/dpff.py sha256=B3ZHCd5IUFMJjStsOP4BIIijicarFDjsC9TEekbkUm4 10364
ai2_kit/domain/iface.py sha256=2Vuv9pEueY5crbupBNQWt4f0An4QYQ3byCKkSHfYh3o 1289
ai2_kit/domain/lammps.py sha256=n52LGQyliGJZOOK2BjN337kdiT_4MyFYHGcRxIUKlmk 29180
ai2_kit/domain/lasp.py sha256=B4OvrhglqcVByzyd2WheFuRP4enisFkkzdUcEQha9L8 8772
ai2_kit/domain/selector.py sha256=HLnsth4qwnMLsKh-6oatbx-MF7QJQDpemyG_nAORLlM 19303
ai2_kit/domain/updater.py sha256=AfJ92rq_5hx2o4UT1lVN-dEqpyr1ptlUmLCrWDEjpmg 204
ai2_kit/domain/util.py sha256=pqze9GNiUdfyqD4zMqkVEZGEtj-PKEmy3fPW4Cho8e0 10563
ai2_kit/domain/vasp.py sha256=W1yveTBTm8HD0pJKDTz7Iu4b6AQqkWeXKxLKrP2EO5c 7239
ai2_kit/feat/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ai2_kit/feat/catalysis/__init__.py sha256=vb0cF_QhSsuVNDaht5YCRZX2xt66HKYocwxXUJNiVoI 17854
ai2_kit/feat/catalysis/constant.py sha256=l1gjJEWKcS1YTFUFw0bJnCwR-yx5Jn3Ad8aNVuVS6qE 2370
ai2_kit/feat/catalysis/ui.py sha256=L9EIam0-CysXmtta9NzJy78QUm2bjWEngPypCVjHKvw 13354
ai2_kit/feat/spectrum/__init__.py sha256=Wl0GbpKfN4xGub4ST9L_2EKSjcnYO7T65eKlcI_8on4 170
ai2_kit/feat/spectrum/viber.py sha256=vUEkjpdhnI6JIjOj_V6U3TlCOFCHXL_ojebSLST2zzM 12830
ai2_kit/lib/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ai2_kit/lib/constant.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ai2_kit/lib/plumed.py sha256=9kze1VmbrhNQrF7UMC__KHXe95RZutOo8WFbHt4TuyY 1329
ai2_kit/main.py sha256=NhW6742brJIw3yUvm526U_HnPrQsZSyhz16Y2S8iasY 2749
ai2_kit/res/__init__.py sha256=Ow02FXJSAeuLZUn2CccgwJD86StWYGcL-7haHXRPETA 65
ai2_kit/res/catalysis/cp2k.inp sha256=p6r2R_iQgVBorqxQAar3vZ8LOmkquQmkIJcj2AyN9RM 1020
ai2_kit/res/catalysis/deepmd.json sha256=QoDMwjDRYe1GqFa3mHwidw2Qf_KgW0c3gWqBK4yHqwY 1099
ai2_kit/res/catalysis/gen-cp2k-aimd.formily.json sha256=mpnbJ3P0b0yTwcU4W6s3GaFpnYRw33H2cQsGDe65x8U 4462
ai2_kit/res/catalysis/gen-label-explore.formily.json sha256=M4iHkkt50lSLR4ORGk7WUbWofpnvihZhoGLpbD5jhrk 3296
ai2_kit/res/catalysis/gen-lammps.formily.json sha256=D07qSg0Q2h3eYjhs5bNEoNtl8F3DBpK431dWp0tp1Rk 1385
ai2_kit/res/catalysis/gen-training.formily.json sha256=b-UP_mdz_NKE8dGfoNIk2Bof7-op1alcfNKzfNJifgA 6977
ai2_kit/res/catalysis/lammps-post.inp sha256=jUJovGGibEWCqUlKjQjAoWUUoJ7ka56f4VhXhubhYt8 1764
ai2_kit/res/catalysis/mlp-training.yml sha256=yWCOwV4Q5Trdvq9FGLmkQ5eYNjAbWsPLjUBqfhlwxgE 2604
ai2_kit/res/catalysis/selector.formily.json sha256=bgDl8NWvYGVOQQTBTfR6jyL8axOPZQbHxpUpU_kntG4 757
ai2_kit/tool/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ai2_kit/tool/ase.py sha256=hn50SJboK8vR0lRJXPOhK4e-s0KZjJlFXpXTUVoO-7E 8456
ai2_kit/tool/batch.py sha256=Ajh0Nt-cdrFTWa4u2N4B_IC2OXjykyE811p5uDQAQ-k 5470
ai2_kit/tool/deepmd.py sha256=nAt2SiheWawsI2opNeZnjAmmveQFFJWzy2e4StgivVU 1066
ai2_kit/tool/dpdata.py sha256=KsgPaLknvv9UPQJFJMXsVqZrm9Fg8nhFWEPITgFiPn8 8558
ai2_kit/tool/frame.py sha256=CO62jRjOzVRnpBQR6MnhWKaIPrb5F196ZZLl9p3wCjc 5326
ai2_kit/tool/hpc.py sha256=2SACKH2In582XLPtNxrz2wdmbivdVRJrVNyRgwlXBgE 4911
ai2_kit/tool/misc.py sha256=bsNwlKP7K1Pq57S_Pi_w9FZHStthKKVE63r9UnvmjzY 918
ai2_kit/tool/yaml.py sha256=TSimb0PQX5nzAsl8yTJ4fBXdQy62LLIfJprpJjx1FQ0 1615
ai2_kit/workflow/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
ai2_kit/workflow/cll_mlp.py sha256=EDfTBrvK-XYv72HdSrVlsdxaKHxJLlbolj3Se7_2Rqo 14338
ai2_kit/workflow/fep_mlp.py sha256=WGzlQSEx_Mmk2C2fh-bzli_mquBKFyKoPftugz_9AQM 9400
ai2_kit-0.21.4.dist-info/LICENSE sha256=6FWl5gzl45opKcf2AFS7xGsUMkHLJC6Zru8IeBOtsoQ 1067
ai2_kit-0.21.4.dist-info/METADATA sha256=ZfghQBUQKpUvc0cJux9tvY19QgxjhILfI-Jst5Xpk0Q 4339
ai2_kit-0.21.4.dist-info/WHEEL sha256=sP946D7jFCHeNz5Iq4fL4Lu-PrWrFsgfLXbbkciIZwg 88
ai2_kit-0.21.4.dist-info/entry_points.txt sha256=QlzVMBo5V11dzo5MieTG1RMsheeqsDxyTy0zAIQdPEs 127
ai2_kit-0.21.4.dist-info/RECORD

entry_points.txt

ai2-cat = ai2_kit.feat.catalysis:cli_main
ai2-kit = ai2_kit.main:main
ai2-spectr = ai2_kit.feat.spectrum:cli_main