pypi.org : restrained-esp-fit
Fitting partial charges to molecular Electrostatic Potential field
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purl: pkg:pypi/restrained-esp-fit
Keywords:
restrained
, molecular
, electrostatic
, potential
, ESP
, fitting
, RESP
, atomic
, partial
, charges
License: GPL-3.0
Latest release: almost 4 years ago
First release: almost 4 years ago
Dependent repositories: 1
Downloads: 148 last month
Stars: 1 on GitHub
Forks: 1 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 1 day ago
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