MtoLStoN/CPCM-X
Extended conduction-like polarizable continuum solvation model
Repositories
MtoLStoN/numsa
Solvent accessible surface area calculation
MtoLStoN/qc2-teaching
Resources for teaching quantum chemistry courses in Bonn
MtoLStoN/tblite
Light-weight tight-binding framework
MtoLStoN/mctc-lib
Modular computation tool chain library
MtoLStoN/xtb
Semiempirical Extended Tight-Binding Program Package
MtoLStoN/homebrew-qc
Brew formulas for xtb and related quantum chemistry programs
MtoLStoN/AoC-2022
Advent of Code 2022 in any language that seems reasonable to me at the moment in time. Expect very hacky code.
MtoLStoN/CENSO
CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles