restrained-ESP-fit
Fitting partial charges to molecular Electrostatic Potential field
Installation
In a virtualenv (see these instructions if you need to create one):
pip3 install restrained-esp-fit
Dependencies
- None
Releases
| Version | Released | Bookworm Python 3.11 |
Trixie Python 3.13 |
Files |
|---|---|---|---|---|
| 2.4.1 | 2021-06-06 | |||
| 2.2.1 | 2021-06-06 | |||
Issues with this package?
- Search issues for this package
- Package or version missing? Open a new issue
- Something else? Open a new issue