| Path |
Digest |
Size |
| xenonpy/__doc__.py |
sha256=CdGKKxbDM1B7QZxaRnIosNxob5i0t9m_saQ6xavEoaU
|
161 |
| xenonpy/__init__.py |
sha256=dheIbb-U49q4t6-mFaD22CJVa6J5M9hZbtnrTgmgWkA
|
2150 |
| xenonpy/__main__.py |
sha256=ze8JnloN6jAMCkmERE-AH4-rrLDpu3R-ACwE17dpGow
|
1534 |
| xenonpy/_conf.py |
sha256=89v4VZIp2qc46qedP5l6s004IbMcMX9njCjniInfTUc
|
1474 |
| xenonpy/conf.yml |
sha256=gepf-TAln4PtMGyqaThRd-4hpBZOunqVAupIsWoSEvU
|
832 |
| xenonpy/contrib/README.md |
sha256=n5NhCyITs6DXvcUVS_CsdJ2MfKvGPjPzVUEUA_1nDgA
|
1614 |
| xenonpy/contrib/__init__.py |
sha256=pQgPUsF-_QVA5KABV21A4ABgT6RgeACypk0K_61MBr4
|
178 |
| xenonpy/contrib/extend_descriptors/README.md |
sha256=bWshf_JXadFESig-NjwSfrQlLq2DrG0HVEeW96pj1Ws
|
1284 |
| xenonpy/contrib/extend_descriptors/__init__.py |
sha256=1x2gfTPxSGxlkK4sSqS4KR-T5DYnXLevaJGMW2j8w1c
|
156 |
| xenonpy/contrib/extend_descriptors/descriptor/__init__.py |
sha256=j5YQMRGY71lde40bAjrV0RVYzl5lylj9hG9d-ByZ8gA
|
278 |
| xenonpy/contrib/extend_descriptors/descriptor/frozen_featurizer_descriptor.py |
sha256=6f0PWGR2fAbqpYWqQZ1bdoymen9Rd-FS4mfjqZx31cQ
|
1833 |
| xenonpy/contrib/extend_descriptors/descriptor/mordred_descriptor.py |
sha256=e47A_xuQvv-cc3-nO6zoFE_1r6BktsyS91GZOGe11J8
|
1404 |
| xenonpy/contrib/extend_descriptors/descriptor/organic_comp_descriptor.py |
sha256=GKPgxp6mrm0VHNwAoEPuPl394-Ap22yqOaTzZP0G2fQ
|
1731 |
| xenonpy/contrib/ismd/README.md |
sha256=5sE7oiYdXppBGh_EBRk6QmNFSNMbAsuB7WBIaPsbFhI
|
951 |
| xenonpy/contrib/ismd/__init__.py |
sha256=FpOh9Qs7sLzEEKtq9r6RKucDdCALnYHa20jW634hDrs
|
299 |
| xenonpy/contrib/ismd/reactant_pool.py |
sha256=dOUy-xZQvSvk7gDSBgwgHjMerjuCxYY2Ga3MRHPuPU8
|
6618 |
| xenonpy/contrib/ismd/reactor.py |
sha256=u3KHKVOXGgEHFVisMrfj62LHNv6jzMqP4g-xXplCj9U
|
3287 |
| xenonpy/contrib/sample_codes/combine_fragments/combine_fragments.py |
sha256=73aRdug5L2vS4VSA6_NWen8WjjLlaKPM2ZYsi9RyAwg
|
3180 |
| xenonpy/contrib/sample_codes/iQSPR_V/iQSPR_F.py |
sha256=AV5EovgBxYfOpoRz5K3h41Agg5vy7xNLLibWVvR-6YA
|
8087 |
| xenonpy/contrib/sample_codes/iQSPR_V/iQSPR_V.py |
sha256=GI-H3op7GJ2-6aL2fqClVqyToYLxR4p3BEKGnD7tIow
|
5026 |
| xenonpy/contrib/sample_codes/iQSPR_V/iQSPR_VF.py |
sha256=gcoofX8gD3FsgPzEZN9dtXIXH17niwV1GHIo624RDe0
|
8912 |
| xenonpy/datatools/__init__.py |
sha256=7j2Lw_xhZ_2ScA0O8SvPWmjhqhawzUP5YFswHsAc3xk
|
257 |
| xenonpy/datatools/dataset.py |
sha256=y-3kqUgeVudwxk7O4zwbZYo7t7dJOXetKLD3ndfvmdc
|
5514 |
| xenonpy/datatools/mp_ids.txt |
sha256=Oy-B8H2F5bxBUFZxvPTLQMTFZuEVi01TayXrtphHvfo
|
19758 |
| xenonpy/datatools/preset.py |
sha256=p9M8-NBhLYhlHdOUQNq8vPEY5s4R-xtaRgWQLquUY8s
|
9227 |
| xenonpy/datatools/splitter.py |
sha256=jIX8WTrcFqCV4LORprMaDGYMmeMkuPQLnJZrYyAaUzA
|
7548 |
| xenonpy/datatools/transform.py |
sha256=JZfuN_Z-y-uoT0cLC62y1A4gSrD0VvB32hUtVgmkaxU
|
7444 |
| xenonpy/descriptor/__init__.py |
sha256=VfjQ4AzVI31lSYn6z6DJa5-vEoOXqcNYZPYY-e3zVJw
|
296 |
| xenonpy/descriptor/base.py |
sha256=FsaPxAa-ulJHqR1Ueg1X2CSI1ZsKQofch8ROeuf-W2I
|
24981 |
| xenonpy/descriptor/cgcnn.py |
sha256=i6B1YZGpd6xq2HQ-xwZDy4xT6qSVotMxUatZlzRs118
|
4839 |
| xenonpy/descriptor/compositions.py |
sha256=8o5htg_G045Io9jA7ggvpnmG4_dfDSHtkbYDFJ9sMZA
|
17775 |
| xenonpy/descriptor/fingerprint.py |
sha256=5_JcIu-tUDva3JHlRLDZ5jU8jBFNCh_Xfqg2bLJtRvg
|
41474 |
| xenonpy/descriptor/frozen_featurizer.py |
sha256=WrfPwaJPD1ddWQ0pfDv6_F-TBoJTKU0hT_OxNv2zxHg
|
4638 |
| xenonpy/descriptor/structure.py |
sha256=W-76MDYPq7rStl8cLM4lgT28BFEKecOBYYM1VqGcd1c
|
12500 |
| xenonpy/inverse/__init__.py |
sha256=DcHoJ-ExQapYi3749fdZVver3Ap7UmE8_Ypa6D-JEC0
|
203 |
| xenonpy/inverse/base.py |
sha256=KYhUEyFixodUHXiTQ22phsXyPj9IlLhYrozU63SXRwQ
|
18190 |
| xenonpy/inverse/iqspr/__init__.py |
sha256=quK1TK1q8GuqIz2dKCn2MfGndwXfJOcT7eWafSX6Tww
|
466 |
| xenonpy/inverse/iqspr/estimator.py |
sha256=7pOmr0AqqsXIsV84Z5kHuv9uOCdMZOpxuACkPBmiRbQ
|
7764 |
| xenonpy/inverse/iqspr/iqspr.py |
sha256=f76BKNBICLgrn_WpW2vP86OS_p3H9hjY0_5bAyp2wMs
|
1860 |
| xenonpy/inverse/iqspr/iqspr4df.py |
sha256=XnyFaMIR6M7faLHtQjy9MezRNfYOZ5A9dGBoJYl2yoM
|
3176 |
| xenonpy/inverse/iqspr/modifier.py |
sha256=jIctcbvNeQvrqOw1drYCm8tGyeJ8NjqkZ0K_RU51pg8
|
28879 |
| xenonpy/mdl/__init__.py |
sha256=MwyQZ5VYovZLHo0ii7G57A-bmwSGrQ4QumVqTo-KYo8
|
181 |
| xenonpy/mdl/base.py |
sha256=dBjlvHA_33Mri5Sng5UASYJp25bKGt_mukw7NT-pf9E
|
3923 |
| xenonpy/mdl/descriptor.py |
sha256=qg1ZHinL6q51wjfzTUvCK7P9ohFxjEXXImfzrjpIcRA
|
5071 |
| xenonpy/mdl/mdl.py |
sha256=e9Ahk2p1LmsVDNWV9TyLxBoqjaz0225uWxh8ZqTxoQg
|
28225 |
| xenonpy/mdl/method.py |
sha256=oh1FgmSgDK5S_A_hSo74KnkYLI1TS2VSynlALmwMENo
|
5015 |
| xenonpy/mdl/model.py |
sha256=mrWMgKN0A5qY66pxVw-0kgnKgNgqccXnY3Lbd12Sx9M
|
16506 |
| xenonpy/mdl/modelset.py |
sha256=5KZQfA8hNDkbQkKnx-VMWzFkz9O9acOQPfGg5zM2YQw
|
5452 |
| xenonpy/mdl/property.py |
sha256=r_P_70LoNQVwpc3yMXwF8ymXS0bwQm6Vo2sS5GJJSLQ
|
5413 |
| xenonpy/model/__init__.py |
sha256=yt5GKyMosaKjZdSBWsSEg2MiVxZnDAuBX-xf0GsQCCg
|
227 |
| xenonpy/model/cgcnn.py |
sha256=zoLb2ZLLrQueYApH9rQHYB7LBxpFFYyAyGLikhtYAAk
|
6960 |
| xenonpy/model/extern.py |
sha256=HcHq1Zmt9baanvKge5HWP6BUBgbK6pX6I3OckZRNNdU
|
222 |
| xenonpy/model/sequential.py |
sha256=lXpNvk3SqOQhlQD3wW4vZlU7zQLe6eR-ZB8qITa_BO8
|
5312 |
| xenonpy/model/nn/__init__.py |
sha256=2ibdwCaFwicknCKzC1EVkuYHocaOZBv7hoqzL6OVMt4
|
183 |
| xenonpy/model/nn/layer.py |
sha256=gfR0XN_xQcSAzE0HVUp8a-q4bSp82bQCJy3q9kSTK04
|
1631 |
| xenonpy/model/nn/wrap.py |
sha256=2hUbImui57gmYn0nKVIVzryNltZzrqC8pra4hHMgsDc
|
5678 |
| xenonpy/model/training/__init__.py |
sha256=HXLuVuYsxBYOdtliF9QSVuUD1nVbhxdRb2loU19MYAo
|
302 |
| xenonpy/model/training/base.py |
sha256=asv6Ub_GVSx0uzF1pJucEw5Qwi4vuccYU4JnGyeDzlw
|
7151 |
| xenonpy/model/training/checker.py |
sha256=rfrFX32hSSaDGUzh1WI-tGPWNCTYGPJ7coogL8-JKHk
|
8850 |
| xenonpy/model/training/clip_grad.py |
sha256=f8JeYz4eWkkZ5H6Mri9xzDz-fdweQUqznPQH_fxcTc0
|
1606 |
| xenonpy/model/training/loss.py |
sha256=3fUA9IW3NuiEavt_ZP_A20q9S7StqZfNo6oQ99BuFi0
|
588 |
| xenonpy/model/training/lr_scheduler.py |
sha256=m8Ocp-9xU3Xqz6yHDUeeTIanIljGlFkNzzKE5r6cBxQ
|
14791 |
| xenonpy/model/training/optimizer.py |
sha256=ZXQEPWnP2bLAlWM2i1GN4g4edbB_fYE8Va9Wznazaes
|
13731 |
| xenonpy/model/training/trainer.py |
sha256=uFgdmAcojVaUbNgo9yID3T_-VZKWx3qAZjGDeoZ2dpI
|
23830 |
| xenonpy/model/training/dataset/__init__.py |
sha256=N8lb6DjlFawzcNgYxVZorTiB8qR6zocrpnEklmVraJc
|
200 |
| xenonpy/model/training/dataset/array.py |
sha256=qBI9cwz-CLrdUCRkL-iEWFbiuDfXq_KDaqOfEwmm2mk
|
1456 |
| xenonpy/model/training/dataset/cgcnn.py |
sha256=mt81bBDI0wnQZmhNEXxymy5pd9iCu5iBUXyxJ3tquyM
|
4777 |
| xenonpy/model/training/extension/__init__.py |
sha256=5b7Z-C5XCXLqNHU0uiyHmc3U-bVYS2G56k5D6y_F7_s
|
236 |
| xenonpy/model/training/extension/persist.py |
sha256=8LlGWX9qJG4OE0okfBqgcHjY_H20LjSTf-mI5g31io4
|
6921 |
| xenonpy/model/training/extension/tensor_convert.py |
sha256=LN74tKb6CycNchjoyQf30wiv0BY2L7hAAR-x2vkxgF8
|
6757 |
| xenonpy/model/training/extension/validator.py |
sha256=GlD0QcEvSpArNtBf00TGl5AngBL_lPqMpb6WPrB398Y
|
6038 |
| xenonpy/model/utils/__init__.py |
sha256=OK5vSXyXgc2_Xz8NhGI2aD5rqVPRk0uIjElAS4Pb8Fg
|
185 |
| xenonpy/model/utils/metrics.py |
sha256=nD3lGJUBYMgGOxTifBPcZpYm0uk6V3OknkgdZHJAlco
|
6440 |
| xenonpy/utils/__init__.py |
sha256=a6aOsO5QSFQfIxw8CrgKEAItmy1tAPfpD3sbQslq5xA
|
245 |
| xenonpy/utils/parameter_gen.py |
sha256=tAxd3pGJMNvW_2ymK7Km27gJtNYCHT_8KftjfB9kAoc
|
3129 |
| xenonpy/utils/useful_cls.py |
sha256=nh8VjR2zgIhV7xMF03aEghEGQjaq5FoXqgeUb_Rqq5Q
|
4566 |
| xenonpy/utils/useful_func.py |
sha256=9c5awIsC8au9ksIe1j1IZIYl2-t17yUUG7ATmLy6iuI
|
4328 |
| xenonpy/utils/math/__init__.py |
sha256=8zbxdZihDKPUOwF6SWqARpqbeJQrww_d7Jpzu-WxqJI
|
191 |
| xenonpy/utils/math/product.py |
sha256=K_-wjszLA_mLaK_k-dJWtTNxcPusWXeu15cAtcmV2XA
|
1366 |
| xenonpy/visualization/__init__.py |
sha256=BdhkmJsUAZOyFxBmzd2IEVsvn35QdAT0HWXWV4CWzHA
|
201 |
| xenonpy/visualization/heatmap.py |
sha256=JHmkEOmkUv8AhyrwRogyzQRQprDJZcOuzqVayoSzgK4
|
4546 |
| xenonpy-0.6.7.dist-info/LICENSE |
sha256=48iAhTIoHByKi27hgGMEXkpjlEDWP9RgMn_461Ut2DQ
|
1471 |
| xenonpy-0.6.7.dist-info/METADATA |
sha256=XCap3E1ddM2ulRcRbNpXHVCMrLG8CTfoWSlDK2FxEKc
|
1319 |
| xenonpy-0.6.7.dist-info/WHEEL |
sha256=G16H4A3IeoQmnOrYV4ueZGKSjhipXx8zc8nu9FGlvMA
|
92 |
| xenonpy-0.6.7.dist-info/top_level.txt |
sha256=Tqf6TKguE_pLTAeuO6_-QxzdSuDJ7p6mUSBC7ZqJwcI
|
8 |
| xenonpy-0.6.7.dist-info/RECORD |
— |
— |