autosolvate
Automated workflow for explicit solvent quantum chemistry calculation
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Description
Automatically generate microsolvated molecule configurations ready for quantum chemistry calculation
About
Summary
Automated workflow for explicit solvent quantum chemistry calculation
Last Updated
Dec 14, 2023 at 18:32
License
BSD-3-Clause
Total Downloads
228
Version Downloads
76
Supported Platforms
linux-64
macOS-64
win-64
GitHub Repository
https://github.com/Liu-group/AutoSolvateDocumentation
https://autosolvate.readthedocs.io/en/latest/