rdkit-to-params

Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file.

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install rdkit-to-params
PyPI page
pypi.org/project/rdkit-to-params
Project JSON
piwheels.org/project/rdkit-to-params/json
Versions
31
Files
28
Downloads (all time)
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Downloads (last 30 days)
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Releases

Version Released Bullseye
Python 3.9		 Bookworm
Python 3.11		 Files
1.2.11 2025-07-15
1.2.10 2025-07-15
1.2.8 2023-12-08    
1.2.5 2023-07-19  
1.2.4 2023-05-21  
1.2.3 2023-01-09  
1.2.2 2022-06-09  
1.2.1 2022-05-25  
1.2 2022-04-08  
1.1.14 2021-10-17  
1.1.13 2021-10-01  
1.1.12 2021-09-27  
1.1.11 2021-09-22  
1.1.10 2021-09-21  
1.1.9 2021-09-21  
1.1.8 2021-06-16  
1.1.7 2021-05-28  
1.1.6 2021-03-22  
1.1.5 2021-02-18  
1.1.5b0 pre-release 2021-03-13  
1.1.4 2021-01-02  
1.1.4b0 pre-release 2021-01-29  
1.1.3 2020-11-05  
1.1.2 2020-07-21  
1.1.1 2020-07-16  
1.1.0 2020-07-16  
1.0.5 2020-07-10  
1.0.4 2020-07-02  
1.0.2 2020-06-03  
1.0.1 2020-06-02    
1 2020-06-02  

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Page last updated 2025-07-17 21:22:30 UTC