pyphyschemtools 0.3.14__py3-none-any.whl → 0.3.15__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
@@ -1,5 +1,5 @@
1
1
  # tools4pyPhysChem/__init__.py
2
- __version__ = "0.3.14"
2
+ __version__ = "0.3.15"
3
3
  __last_update__ = "2026-02-04"
4
4
 
5
5
  import importlib
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: pyphyschemtools
3
- Version: 0.3.14
3
+ Version: 0.3.15
4
4
  Summary: A comprehensive Python toolbox for physical chemistry and cheminformatics
5
5
  Author-email: "Romuald POTEAU, LPCNO" <romuald.poteau@utoulouse.fr>
6
6
  Project-URL: Repository, https://github.com/rpoteau/pyphyschemtools
@@ -38,7 +38,17 @@ Dynamic: license-file
38
38
  <img src="https://raw.githubusercontent.com/rpoteau/pyphyschemtools/main/pyphyschemtools/icons_logos_banner/tools4pyPC_banner.png" alt="t4pyPCbanner" width="800"/>
39
39
  </div>
40
40
 
41
- # pyPhysChemTools
41
+ <br>
42
42
 
43
+ **pyphyschemtools** is a collection of Python utilities designed to facilitate data processing and analysis in the field of physical chemistry. This library is an integral part of the broader [**pyPhysChem project**](https://github.com/rpoteau/pyPhysChem/), aimed at providing open-source, reproducible tools for researchers and students.
43
44
 
44
45
 
46
+
47
+ ---
48
+
49
+ **Installation**
50
+
51
+ Activate your python environment and run:
52
+
53
+ ```bash
54
+ pip install pyphyschem
@@ -2,7 +2,7 @@ pyphyschemtools/.readthedocs.yaml,sha256=ZTw2bOyF9p3JpeF8Ux0fwhYWO6KHCsroNEOvnXx
2
2
  pyphyschemtools/Chem3D.py,sha256=NuhoLvWpeATO88UklXg-3XqPpIiHqvP__b2tLHrypL8,34718
3
3
  pyphyschemtools/ML.py,sha256=kR_5vm5TOOjVef8uXCW57y7685ts6K6OkRMBYKP_cYw,1599
4
4
  pyphyschemtools/PeriodicTable.py,sha256=HVImbwidqWCY2MhoiK7OJFNbSTuL0jNXKLU1eztZqCo,14581
5
- pyphyschemtools/__init__.py,sha256=bfvYgjPUEKiZgNvJJkm4e6RVRJQONvIbR9oyx91MdV0,1443
5
+ pyphyschemtools/__init__.py,sha256=xBGhRKrcmRzm0y3XtjccBNetm1YLHTFYf9TUhrBb49Y,1443
6
6
  pyphyschemtools/aithermo.py,sha256=cRw0RJlULQmTzl0Ky0Y7k-ja-sAa85dVq63S3ucTt2k,14948
7
7
  pyphyschemtools/cheminformatics.py,sha256=EVmgZOHatxFt5DwTgZiyZbWkwVb5mKH8odetcLJHZFc,8929
8
8
  pyphyschemtools/core.py,sha256=5fRu83b125w2p_m2H521fLjktyswZHJXNKww1wfBwbU,4847
@@ -88,8 +88,8 @@ pyphyschemtools/resources/svg/qrcode-pyPhysChem.png,sha256=rP7X-9eHL7HYj4ffmwBML
88
88
  pyphyschemtools/resources/svg/repository-open-graph-template.png,sha256=UlnW5BMkLGOv6IAnEi7teDYS_5qeSLmpxRMT9r9m-5Q,51470
89
89
  pyphyschemtools/resources/svg/tools4pyPC_banner.png,sha256=z7o_kBK0sIBsXHEJrT2GyLHu-0T0T3S8YkWcpxR2joA,89058
90
90
  pyphyschemtools/resources/svg/tools4pyPC_banner.svg,sha256=BXxXHra9vwahaiet1IJW4q8QLA03crSeCIQYo30VpN8,651579
91
- pyphyschemtools-0.3.14.dist-info/licenses/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
92
- pyphyschemtools-0.3.14.dist-info/METADATA,sha256=OP7eG-9cvi5qCQnrZfq95oHRfLLzIebeZA6bqgGSU3w,1497
93
- pyphyschemtools-0.3.14.dist-info/WHEEL,sha256=wUyA8OaulRlbfwMtmQsvNngGrxQHAvkKcvRmdizlJi0,92
94
- pyphyschemtools-0.3.14.dist-info/top_level.txt,sha256=N92w2qk4LQ42OSdzK1R2h_x1CyUFaFBOrOML2RnmFgE,16
95
- pyphyschemtools-0.3.14.dist-info/RECORD,,
91
+ pyphyschemtools-0.3.15.dist-info/licenses/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
92
+ pyphyschemtools-0.3.15.dist-info/METADATA,sha256=xnGYiBU9vQ6orO5t4Sm4Nz7BomgUA6xN32n0Sg6RDPk,1921
93
+ pyphyschemtools-0.3.15.dist-info/WHEEL,sha256=wUyA8OaulRlbfwMtmQsvNngGrxQHAvkKcvRmdizlJi0,92
94
+ pyphyschemtools-0.3.15.dist-info/top_level.txt,sha256=N92w2qk4LQ42OSdzK1R2h_x1CyUFaFBOrOML2RnmFgE,16
95
+ pyphyschemtools-0.3.15.dist-info/RECORD,,