16 dependents
| Package | Description | Downloads/month |
|---|---|---|
| A Python library to automate generating, parallelizing, and executing quantum pr... | 6K | |
| This repository contains functions to be used with CRYSTAL. | 2K | |
| Computational Chemistry Input Generator | 1K | |
| CHEMSMART: Chemistry Simulation and Modeling Automation Toolkit | 964 | |
| computational chemistry toolkit | 942 | |
| Core library for Digichem | 843 | |
| Python bindings for the Open Quantum Platform (Fortran core + Python wrapper) | 466 | |
| Python bindings for the Open Quantum Platform (Fortran core + Python wrapper) | 267 | |
| APDFT calculates quantumchemical results for many molecules at once. | 231 | |
| Automatic basis set optimization for quantum chemistry | 210 | |
| Differentiable Quantum Chemistry (only Differentiable Density Functional Theory ... | 154 | |
| An open source Python package for molecular and condensed matter VQE research | 129 | |
| OF-DFT using machine learning | 125 | |
| Benchmark QC Hamiltonians (N2, FeS, U2) | 116 | |
| This is a python module for automating CP2K calculations. | 89 | |
| MESS: Modern Electronic Structure Simulations | 79 |
