13 dependents
| Package | Description | Downloads/month |
|---|---|---|
| Quantum chemistry program executor and IO standardizer (QCSchema). | 10K | |
| A distributed compute and database platform for quantum chemistry. | 2K | |
| Skala exchange-correlation functional | 2K | |
| Intermolecular many-body expansion with QCArchive integration | 1K | |
| Quantum Espresso automation tool | 871 | |
| Quantum Espresso automation tool | 867 | |
| Package for creating QC ML models on QCArchive datasets. The AP-Net2 has been re... | 460 | |
| Python toolkit for Albert Invent | 382 | |
| Molecular geometry library | 304 | |
| 142 | ||
| Automated Generation of Machine Learning Models of Molecular Potential Energy Su... | 59 | |
| Python client for TeraChem Cloud | 10 | |
| A package for parsing TeraChem file outputs into structured MolSSI data objects. | 5 |
