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dpdata-ani

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0.1.1 dpdata_ani-0.1.1-py3-none-any.whl

Wheel Details

Project: dpdata-ani
Version: 0.1.1
Filename: dpdata_ani-0.1.1-py3-none-any.whl
Download: [link]
Size: 12340
MD5: 8fcd1a171258b2f2887504a4c18f9ee1
SHA256: 342e30513a725ebc8a10df6f247d0f2bc6548ecc9a7ec711f0aec754c04c8419
Uploaded: 2022-12-03 09:01:12 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: dpdata-ani
Version: 0.1.1
Summary: The dpdata plugin for ANI.
Project-Url: Homepage, https://github.com/njzjz/dpdata_ani
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.7
Requires-Dist: dpdata (>=0.2.7)
Requires-Dist: torchani
Requires-Dist: torch
Requires-Dist: numpy
Requires-Dist: h5py
Requires-Dist: MLatom; extra == "aiqm1"
Requires-Dist: dftd4; extra == "aiqm1"
Requires-Dist: pytest; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Provides-Extra: aiqm1
Provides-Extra: test
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 875 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.38.4)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
dpdata_ani/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
dpdata_ani/aiqm1.py sha256=4_Q6kiX4tfDr-x6fWtbTDP056dJWAoI7FI6Y-dBg_Y8 2539
dpdata_ani/ani1x.py sha256=Uv-GD9DhhoKnuWWvw36as0SAcWx-jzTa96WrGMWPoxM 1648
dpdata_ani/anidriver.py sha256=DBXaU4oH_3K2W0PFVLpzFL7emFwrshjMsh8pChYMQt4 2556
dpdata_ani/auto_batch_size.py sha256=wi8c7Mjd5FEzd58W__9ICj0_Nrg5F9CvjoqfdNQAsz0 6223
dpdata_ani/comp6.py sha256=EgkyXKH8JBRelECp0E9ZNVdGe_oKJH_eyIQ-3t07klE 1483
dpdata_ani/dftd4.py sha256=vm5yQuPFTILUcIQvk3iLfAITQ2XIB4n_wXMrLuL7iEE 358
dpdata_ani/odm2.py sha256=XyppYCNP7yuwgYRmYK_lafCUEuRLTvM-ZeibsVM1CJc 3342
dpdata_ani-0.1.1.dist-info/LICENSE sha256=46mU2C5kSwOnkqkw9XQAJlhBL2JAf1_uCD8lVcXyMRg 7652
dpdata_ani-0.1.1.dist-info/METADATA sha256=2yuDg-e_jQNH7q6HNPnbM5_9Lx32Aksp6UY_fJka_Mw 1527
dpdata_ani-0.1.1.dist-info/WHEEL sha256=2wepM1nk4DS4eFpYrW1TTqPcoGNfHhhO_i5m4cOimbo 92
dpdata_ani-0.1.1.dist-info/entry_points.txt sha256=3l8WCmDCWaDDQNhWJfvSUx1Gxm5y7ZMpYFaEL5rsPUA 297
dpdata_ani-0.1.1.dist-info/top_level.txt sha256=rXeRBlVy-GZGGKnTkYXMbHf_NkYRk2_r4h-zvTxIdpU 11
dpdata_ani-0.1.1.dist-info/RECORD — —

top_level.txt

dpdata_ani

entry_points.txt

[dpdata.plugins]
aiqm1 = dpdata_ani.aiqm1:AIQM1Driver
aiqm1nn = dpdata_ani.aiqm1:AIQM1NNDriver
ani1xload = dpdata_ani.ani1x:ANI1xFormat
anidriver = dpdata_ani.anidriver:ANIDriver
comp6load = dpdata_ani.comp6:COMP6Format
dftd4 = dpdata_ani.dftd4:DFTD4Driver
odm2driver = dpdata_ani.odm2:ODM2Driver