| Path |
Digest |
Size |
| molsystem/__init__.py |
sha256=X-5W72h5rlodv5uUTpw_Ni_oFe_kg6DnIlyDTmgujEw
|
1182 |
| molsystem/_version.py |
sha256=vZjlWyBa1EfAaBovU7zHuBALx48O6hbJ3ocM1qghDH8
|
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=dnoBMLoVBGRHo8J42VYU0ajEroHSrAaafj1CuJpN-9E
|
37454 |
| molsystem/configuration_properties.py |
sha256=B5lbS-C_nx1S2qR0jvv-AtbeAFRiyxUVRftCbKQCjwI
|
6277 |
| 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=f0qlFnFc2RV-4_CxsiRSt7o-mvQ0y29aO-Zni22Sw6w
|
11674 |
| molsystem/openeye.py |
sha256=i5Fae414I-wR9bP1VktSGgH02eA_iNizxcU-8xFEVJs
|
6768 |
| molsystem/pdb.py |
sha256=QzZVeOjLC7y3jY21rdMYgiOe8PUITKAdayos5XjjJ9o
|
18217 |
| molsystem/properties.py |
sha256=uyIvtOCYmAZyNKM2E9WCPmuVUwt_PPbm6VlLjHHtnbM
|
31176 |
| molsystem/pubchem.py |
sha256=9sCbv21oXo3-kStyjS4lwSqLgT4nTL4HzlWwKhgsnLY
|
4972 |
| molsystem/qcschema.py |
sha256=M8UU88ds79tzj4FRiAGcMegW-8Ks8fV5u44HpJSiu-0
|
3100 |
| molsystem/rdkit_.py |
sha256=NhZL_LMFv7FUQ7-P0IYL0gwzcnkHre1NaRfpau6JA_4
|
7934 |
| molsystem/smiles.py |
sha256=8F6Cq3AmD-ihYo9fP6fYCwM1Ql4VANczTgr3_HuL8Do
|
9766 |
| 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=4wsxqV2qOqHJNQHZGt1WRB7ff7L0hVBbMp6UGGipAb0
|
6289 |
| 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=JOgDx0kwy2BF7RzIq031yDvP8uMErGsaNJ1GVdrNUUo
|
1775 |
| molsystem-2024.12.22.dist-info/AUTHORS.rst |
sha256=7VeWlpVO-epb2hxd3kmnovLJJc4TSyA_EJcxP6sGsMM
|
147 |
| molsystem-2024.12.22.dist-info/LICENSE |
sha256=46mU2C5kSwOnkqkw9XQAJlhBL2JAf1_uCD8lVcXyMRg
|
7652 |
| molsystem-2024.12.22.dist-info/METADATA |
sha256=dt2fKsW58IF1qrFROKDnQkB2SUFEE-BeDQLiJd5ag3Y
|
13374 |
| molsystem-2024.12.22.dist-info/WHEEL |
sha256=pxeNX5JdtCe58PUSYP9upmc7jdRPgvT0Gm9kb1SHlVw
|
109 |
| molsystem-2024.12.22.dist-info/top_level.txt |
sha256=PYIeq6pVCjs8dMqwGMVLbdkaU5C8dDGWx97aWEnkFGE
|
10 |
| molsystem-2024.12.22.dist-info/RECORD |
— |
— |