| Package Name | Access | Summary | Updated |
|---|---|---|---|
| pymol | None | Schrödinger's Python-based molecular visualization system | 2025-03-25 |
| chemps2 | None | S. Wouters' spin-adapted implementation of DMRG for ab initio quantum chemistry | 2025-03-25 |
| openbabel | None | open source chemistry toolbox | 2025-03-25 |
| pyambit | public | J. Turney's C++ library for the implementation of tensor product calculations | 2023-06-18 |
| pylibxc | public | M.A.L. Marques's exchange-correlation functionals for density-functional theory | 2023-06-18 |
| libxc-f | public | M.A.L. Marques's exchange-correlation functionals for density-functional theory | 2023-06-18 |
| libxc-c | public | M.A.L. Marques's exchange-correlation functionals for density-functional theory | 2023-06-18 |
| psi4-cov | public | Psi4 HTML documentation | 2023-06-16 |
