- ๐ Hi, Iโm Saikat Roy
- ๐ Iโm interested in scientific python programming.
- ๐ฑ Iโm currently a PhD student
- ๐ซ reach me at [email protected]
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The precomplex generator is a tool for obtaining suitable input structures for automated transition-state (TS) searches (precomplexes) based on single-ended reaction path optimization algorithms.
License: GNU General Public License v3.0