Digital Chemistry Laboratory

The Digital Chemistry Laboratory at ETH Zurich

Switzerland

Pinned Repositories

.github
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coulson
Python code for Hückel and Pariser-Parr-Pople molecular orbital theory
Language:Python14 2 05
homebrew-multiwfn
A homebrew formula for Multiwfn
Language:Ruby12 4 34
libconeangle
Library for calculating exact ligand cone angles
Language:Fortran12 1 31
libdlfind
libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library
Language:Fortran16 1 34
morfeus
A Python package for calculating molecular features
Language:Python166 8 1427
multiwfn-mac-build
A build recipe for Multiwfn on MacOS
Language:CMake23 2 63
polanyi
Transition state optimization with force fields in Python.
Language:Python8 3 02

digital-chemistry-laboratory/morfeus
A Python package for calculating molecular features
Language:Python166 8 1427
digital-chemistry-laboratory/multiwfn-mac-build
A build recipe for Multiwfn on MacOS
Language:CMake23 2 63
digital-chemistry-laboratory/libdlfind
libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library
Language:Fortran16 1 34
digital-chemistry-laboratory/coulson
Python code for Hückel and Pariser-Parr-Pople molecular orbital theory
Language:Python14 2 05
digital-chemistry-laboratory/homebrew-multiwfn
A homebrew formula for Multiwfn
Language:Ruby12 4 34
digital-chemistry-laboratory/libconeangle
Library for calculating exact ligand cone angles
Language:Fortran12 1 31
digital-chemistry-laboratory/polanyi
Transition state optimization with force fields in Python.
Language:Python8 3 02
digital-chemistry-laboratory/.github
0 0 00