| Path |
Digest |
Size |
| molsystem/__init__.py |
sha256=u11dwvo5hOy3PoJYjBOdt_aKA_N_hQ1N2Vb8jAsAfSY
|
650 |
| molsystem/_version.py |
sha256=ouw_nOKHUXo9ctxKzTY-veyDNYk6WKxWoYmk7Q_Prtc
|
502 |
| molsystem/align.py |
sha256=u-sVIRL2r1fooGHe0dXK9xzxR7XVzpW0zeGO_gzGu70
|
4370 |
| molsystem/atoms.py |
sha256=Yp18k4Uz8eM5YiX1xTIFLlDbrKcTM_teCK_m2pCfTdY
|
69805 |
| molsystem/bonds.py |
sha256=pRKr4vnEnDA3w3b3sQtpL8QLp_UGOgVbXQ1sI32xrJw
|
38056 |
| molsystem/cell.py |
sha256=HA3QIZd0PkWOzmW-WGh5UdRy6h36Odg-6MYtho_5Eaw
|
19739 |
| molsystem/cif.py |
sha256=EMqgratO8N2OqaT-G1kt59xfJogRosWv2oKHCd-U4IM
|
38956 |
| molsystem/cms_schema.py |
sha256=jU32-ybE9aO4AQN_tedcQj_71B4bHicZkPz_j3Zgu74
|
1524 |
| molsystem/column.py |
sha256=FHH9UCxx_0mcaBD9bD_eE_lIufiyuKNnDMUj0UMptKY
|
3579 |
| molsystem/configuration.py |
sha256=G0ZHjwrY_cVVkLJXi3OHNkzgZb1b999F9oLQBlrAUxY
|
36450 |
| molsystem/configuration_properties.py |
sha256=WUAsdJyCb8rLNzVvJ4YkDwqKyRX9FVO2C-rGapPfKq4
|
6062 |
| molsystem/elements.py |
sha256=XEU2hZDfRuJmrxvNTILzz2Mges0NCwDazVgL8W9iYeI
|
26799 |
| molsystem/frozencolumn.py |
sha256=I7pirEZAs7bZTFCJ-00JV8PLqvWaF-U-nO_aJxcHtaU
|
2377 |
| molsystem/inchi.py |
sha256=n_7f6WEwEHv3xTV9Rxrp8mAAWNNhpZyCWk-Cf1IATpc
|
4701 |
| molsystem/molfile.py |
sha256=iMZoQxJA1_f-zLi4Ahp3T4zvKx_cXYAtlOGiQ3J4EX4
|
6557 |
| molsystem/openbabel.py |
sha256=7b_aek0snppJIr8wOi7-vR_nBruJkAg-7g5LB4ms_eQ
|
9300 |
| molsystem/pdb.py |
sha256=QzZVeOjLC7y3jY21rdMYgiOe8PUITKAdayos5XjjJ9o
|
18217 |
| molsystem/properties.py |
sha256=cixNH87DcDe1ZqEZdiWKRGwcah9KHwQxq8opOPsV70o
|
33065 |
| molsystem/pubchem.py |
sha256=9sCbv21oXo3-kStyjS4lwSqLgT4nTL4HzlWwKhgsnLY
|
4972 |
| molsystem/qcschema.py |
sha256=M8UU88ds79tzj4FRiAGcMegW-8Ks8fV5u44HpJSiu-0
|
3100 |
| molsystem/rdkit_.py |
sha256=eNXxMPEC7zYqjPAYEsA6GvPy3iB5nrvcpiXmvku6L64
|
4799 |
| molsystem/smiles.py |
sha256=bor38Z6jybiOPkGjruEm6ZUdpfbuOS6ySCLZNALNt-w
|
7658 |
| molsystem/subset.py |
sha256=QcYVP4K1pA2LStFbUPWo_ekGYvG9vmoeSDG-7pOiH-A
|
2595 |
| molsystem/subsets.py |
sha256=EacrsHo4O4vLrHO_Gogrld1iOqOxq4kQqIgagETQyUY
|
6376 |
| molsystem/symmetry.py |
sha256=xd95xHjk7OSripruoYOI8uy10pOtSEGhOP6rjyXZQzc
|
47649 |
| molsystem/system.py |
sha256=ZC5mqklncI9bBcT9UVwZrw5-IJJnVttaK2bnJ8A6q_4
|
19658 |
| molsystem/system_db.py |
sha256=gYgDhMk5Em7Ts2GAam7MDHnXwXa4cwlb7vMQqZRURhs
|
36989 |
| molsystem/system_properties.py |
sha256=a4F6KwIG5BMpN5fgs181oQUvLIyJgQVrM9MDAZONYtU
|
5588 |
| molsystem/table.py |
sha256=u64LuNJ5M5DeYymOaZqAOuY0AmCM_BGWTdBulsm2kRI
|
26830 |
| molsystem/template.py |
sha256=ISbuLAlaizCEmYJUahGdVgVwWbc1Br6y9B8ABDASvP4
|
8381 |
| molsystem/templates.py |
sha256=fiY0CXMgbNLGRbV3x0G81Oml2mKBGpUrdY5M0dJx7ic
|
8247 |
| molsystem/topology.py |
sha256=IBMg8UD8-9tkwFmNJIG7jagSRC4-h2RGuiwEi7GbVCY
|
20863 |
| molsystem/data/standard_properties.csv |
sha256=mcVwplK7Vc5zNXivjPWlmBkw85OCoMzTJJmfLxJJ39k
|
1781 |
| molsystem-2024.11.12.dist-info/AUTHORS.rst |
sha256=7VeWlpVO-epb2hxd3kmnovLJJc4TSyA_EJcxP6sGsMM
|
147 |
| molsystem-2024.11.12.dist-info/LICENSE |
sha256=46mU2C5kSwOnkqkw9XQAJlhBL2JAf1_uCD8lVcXyMRg
|
7652 |
| molsystem-2024.11.12.dist-info/METADATA |
sha256=pSaZZI5gxzl2ZzglQ-krRHriSH3kI7pQI477UWGNn_4
|
11132 |
| molsystem-2024.11.12.dist-info/WHEEL |
sha256=0VNUDWQJzfRahYI3neAhz2UVbRCtztpN5dPHAGvmGXc
|
109 |
| molsystem-2024.11.12.dist-info/top_level.txt |
sha256=PYIeq6pVCjs8dMqwGMVLbdkaU5C8dDGWx97aWEnkFGE
|
10 |
| molsystem-2024.11.12.dist-info/RECORD |
— |
— |