Theoretical chemist, PhD student, working on scripts and workflows, mainly in Python.
- Bonn, Germany
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xtb
xtb PublicForked from grimme-lab/xtb
Semiempirical Extended Tight-Binding Program Package
Fortran
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qc2-teaching
qc2-teaching PublicForked from grimme-lab/qc2-teaching
Resources for teaching quantum chemistry courses in Bonn
Fortran
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CENSO
CENSO PublicForked from grimme-lab/CENSO
CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles
Python
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