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LigParGen

Python script to provide BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.

Installation

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

pip3 install ligpargen

Dependencies

• numpy
• pandas

Releases

Version	Released	Bookworm Python 3.11	Trixie Python 3.13	Files
2.1	2018-03-08
LigParGen-2.1-py3-none-any.whl (38 KB)
0.15	2018-01-26
LigParGen-0.15-py3-none-any.whl (32 KB)
0.14	2017-11-29
LigParGen-0.14-py3-none-any.whl (38 KB)
0.13	2017-09-28
LigParGen-0.13-py3-none-any.whl (32 KB)
0.12	2017-09-28
LigParGen-0.12-py3-none-any.whl (32 KB)
0.11	2017-09-21
LigParGen-0.11-py3-none-any.whl (32 KB)

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