UBCC3

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1. UI UI Public

   JavaScript

2. ops ops Public

   Infrastructure code for WebQC

   HCL

3. psi4 psi4 Public

   Forked from psi4/psi4

   Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

   C++

4. psi4-docker-utils psi4-docker-utils Public

   Utilities to help build replicatable Psi4 docker images with various utilities for reproducible quantum chemistry calculations.

   Jupyter Notebook

5. ACCDB-fullcalculations ACCDB-fullcalculations Public

   Forked from peverati/ACCDB

   A Computational Chemistry DataBase

   Python

6. adding-psi4-functionals adding-psi4-functionals Public

   Workspace for adding DFTs to Psi4 and testing them against ACCDB

   Python