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@digital-chemistry-laboratory

Digital Chemistry Laboratory

The Digital Chemistry Laboratory at ETH Zurich
README.md

Hi!

Welcome on the GitHub of the Digital Chemistry Laboratory (DCL) 💻 ⚗️ 🌱

We are a research group at ETH Zürich and as the name hints, we work on digital chemistry 😉 Our vision is to accelerate chemical discovery with digital tools.

Pinned

  1. morfeus morfeus Public

    A Python package for calculating molecular features

    Python 159 27

Repositories

Showing 8 of 8 repositories
  • multiwfn-mac-build Public

    A build recipe for Multiwfn on MacOS

    digital-chemistry-laboratory/multiwfn-mac-build’s past year of commit activity
    CMake 18 MIT 2 1 0 Updated Aug 23, 2024
  • libdlfind Public

    libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library

    digital-chemistry-laboratory/libdlfind’s past year of commit activity
    Fortran 15 LGPL-3.0 3 1 2 Updated Apr 6, 2024
  • morfeus Public

    A Python package for calculating molecular features

    digital-chemistry-laboratory/morfeus’s past year of commit activity
    Python 159 MIT 27 2 4 Updated Feb 1, 2024
  • homebrew-multiwfn Public

    A homebrew formula for Multiwfn

    digital-chemistry-laboratory/homebrew-multiwfn’s past year of commit activity
    Ruby 10 MIT 3 1 0 Updated Jan 5, 2024
  • coulson Public

    Python code for Hückel and Pariser-Parr-Pople molecular orbital theory

    digital-chemistry-laboratory/coulson’s past year of commit activity
    Python 13 MIT 5 0 0 Updated Aug 28, 2023
  • .github Public
    digital-chemistry-laboratory/.github’s past year of commit activity
    0 0 0 0 Updated Apr 12, 2023
  • libconeangle Public

    Library for calculating exact ligand cone angles

    digital-chemistry-laboratory/libconeangle’s past year of commit activity
    Fortran 12 MIT 1 1 0 Updated Aug 21, 2022
  • polanyi Public

    Transition state optimization with force fields in Python.

    digital-chemistry-laboratory/polanyi’s past year of commit activity
    Python 8 2 0 0 Updated Apr 3, 2022

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