cosmopharm 0.0.20__py3-none-any.whl → 0.0.22__py3-none-any.whl

{cosmopharm-0.0.20.dist-info → cosmopharm-0.0.22.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: cosmopharm
-Version: 0.0.20
+Version: 0.0.22
 Summary: Predictive modeling for drug-polymer compatibility in pharmaceutical formulations using COSMO-SAC.
 Home-page: https://github.com/ivanantolo/cosmopharm,
 Author: Ivan Antolovic
@@ -38,12 +38,14 @@ Requires-Dist: matplotlib >=3.0 ; extra == 'examples'
 
 # COSMOPharm
 
-![](https://github.com/usnistgov/COSMOSAC/raw/master/JCTC2020.PNG)
+<p align="center">
+  <!-- <img src="https://github.com/usnistgov/COSMOSAC/raw/master/JCTC2020.PNG" alt="TOC Figure" width="500"> -->
+  <img src="https://github.com/usnistgov/COSMOSAC/raw/master/JCTC2020.PNG" alt="TOC Figure">
+</p>
 
-<div align="center">
-  <img src="https://github.com/usnistgov/COSMOSAC/raw/master/JCTC2020.PNG" alt="Description">
-</div>
+Welcome to the COSMOPharm package, accompanying [our paper in *J. Chem. Theory Comput.*](https://dx.doi.org/10.1021/acs.jctc.9b01016). This project and its associated publication offer insights and a practical toolkit for researching drug-polymer and drug-solvent systems, aiming to provide the scientific community with the means to reproduce our findings and further the development of COSMO-SAC-based models.
 
+## About 
 
 COSMOPharm is a Python package designed for predictive modeling of drug-polymer compatibility and drug-solubility in common solvents. It leverages the COSMO-SAC (Conductor-like Screening Model Segment Activity Coefficient) model, offering a robust platform for solubility, miscibility, and phase behavior prediction in drug formulation processes.
 
@@ -54,12 +56,6 @@ COSMOPharm is a Python package designed for predictive modeling of drug-polymer
 - **Miscibility and Phase Behavior Analysis**: Understand drug-polymer miscibility and phase behavior under various conditions.
 - **User-friendly Interface**: Facilitate research with easy-to-use functions and comprehensive documentation.
 
-## Associated Research
-
-The development of COSMOPharm is closely tied to ongoing research aimed at enhancing the understanding and application of COSMO-SAC models in drug formulation. A forthcoming manuscript detailing the theoretical foundations and empirical validations of the models used in this package will provide comprehensive insights into the work COSMOPharm supports.
-
-**Note:** A related publication, provided as an example of the research context, can be found [here](https://dx.doi.org/10.1021/acs.jctc.9b01016). This link will be updated to directly point to our specific manuscript upon its publication, enabling users to delve deeper into the scientific basis and applications of COSMOPharm.
-
 ## Installation
 
 Install COSMOPharm with pip:

{cosmopharm-0.0.20.dist-info → cosmopharm-0.0.22.dist-info}/RECORD

@@ -11,8 +11,8 @@ cosmopharm/utils/convert.py,sha256=V-7jY-Sb7C38N5bQcp1c27EOiVJfriP6zRbLAIKgrdE,2
 cosmopharm/utils/helpers.py,sha256=D2Zx9P0ywWWl2XQtzC6e5ek2CrudBIncfAIp_7vQnC0,1430
 cosmopharm/utils/lle_scanner.py,sha256=So9FCxLLcHmBkuF6zggMo3W3gFBocEmuRzyxVGy69JM,6587
 cosmopharm/utils/spacing.py,sha256=vtM9b4wodpFGkZFGGLhiSXT51Zl6fNK2Og4oRcbLFH4,9222
-cosmopharm-0.0.20.dist-info/LICENSE,sha256=25ZCycfBgonIECGYnZTy72eJVfzcHCEOz3DM9sTx7do,1162
-cosmopharm-0.0.20.dist-info/METADATA,sha256=-3qXgtw2fYN48JAhzmENHVbOuwaQjPFak8OWa1-yF88,5770
-cosmopharm-0.0.20.dist-info/WHEEL,sha256=oiQVh_5PnQM0E3gPdiz09WCNmwiHDMaGer_elqB3coM,92
-cosmopharm-0.0.20.dist-info/top_level.txt,sha256=MGniVgvs1yq4sn6HQ7ErDVYV_g3st3Fs8TTFHOJVQ9I,11
-cosmopharm-0.0.20.dist-info/RECORD,,
+cosmopharm-0.0.22.dist-info/LICENSE,sha256=25ZCycfBgonIECGYnZTy72eJVfzcHCEOz3DM9sTx7do,1162
+cosmopharm-0.0.22.dist-info/METADATA,sha256=01lyhRI79PhH9RiqUakGMjroAjPcO5oBij8LeC_FTjs,5520
+cosmopharm-0.0.22.dist-info/WHEEL,sha256=oiQVh_5PnQM0E3gPdiz09WCNmwiHDMaGer_elqB3coM,92
+cosmopharm-0.0.22.dist-info/top_level.txt,sha256=MGniVgvs1yq4sn6HQ7ErDVYV_g3st3Fs8TTFHOJVQ9I,11
+cosmopharm-0.0.22.dist-info/RECORD,,