| Package Name | Access | Summary | Updated |
|---|---|---|---|
| psi4 | None | No Summary | 2025-05-02 |
| libecpint | public | A C++ library for the efficient evaluation of integrals over effective core potentials. | 2025-03-25 |
| mdsapt | public | SAPT Calculations for MDAnalysis | 2025-03-25 |
| libtensorlight | public | C++ library for tensor computations | 2025-03-25 |
| dftd4 | public | A generally applicable London dispersion correction | 2025-03-25 |
| llvm-openmp | public | The OpenMP API supports multi-platform shared-memory parallel programming in C/C++ and Fortran. | 2025-03-25 |
| cirq | public | Google's python framework for creating, editing, and invoking Noisy Intermediate Scale Quantum (NISQ) circuits | 2025-03-25 |
| quimb | public | No Summary | 2025-03-25 |
| miniforte | public | No Summary | 2025-03-25 |
| pybind11-headers | public | Seamless operability between C++11 and Python | 2025-03-25 |
| fockci | public | S. Houck's Fock-space CI (RAS-nSF-IP/EA) plugin to Psi4 | 2025-03-25 |
| adcc | public | adcc: Seamlessly connect your program to ADC | 2025-03-25 |
| optking | public | A geometry optimizer for quantum chemistry. | 2025-03-25 |
| h5py | public | Read and write HDF5 files from Python | 2025-03-25 |
| hdf5 | public | HDF5 is a data model, library, and file format for storing and managing data | 2025-03-25 |
| libint2 | public | E. Valeev and J. Fermann's two-body Gaussian molecular integrals | 2025-03-25 |
| postg | public | E. Johnson and A. Otero de la Roza's exchange-hold dipole moment (XDM) dispersion correction for DFT | 2025-03-25 |
| pycppe | public | C++ and Python library for Polarizable Embedding calculations | 2025-03-25 |
| cppe | public | C++ and Python library for Polarizable Embedding calculations | 2025-03-25 |
| dataclasses | public | An implementation of PEP 557: Data Classes | 2025-03-25 |
| qcengine | public | A wrapper for Quantum Chemistry engines that adheres to the MolSSI (molssi.org) QCSchema. | 2025-03-25 |
| pydantic | public | Data validation and settings management using python type hinting | 2025-03-25 |
| mp2d | public | C. Greenwell's dispersion correction for MP2 quantum chemical method | 2025-03-25 |
| helpme | public | A. Simmonett's efficient library for particle mesh Ewald | 2025-03-25 |
| qcelemental | public | QCElemental is a resource module for quantum chemistry containing physical constants and periodic table data from NIST and molecule handlers. | 2025-03-25 |
