Automated Conformer Search for Multi-structural Thermo-Kinetic Calculations.
This codebase has been partially integrated and refactored into RDMC https://github.com/xiaoruiDong/RDMC by https://github.com/shihchengli
| Name | Name | Last commit date | ||
|---|---|---|---|---|
Automated Conformer Search for Multi-structural Thermo-Kinetic Calculations.
This codebase has been partially integrated and refactored into RDMC https://github.com/xiaoruiDong/RDMC by https://github.com/shihchengli