18 dependents
| Package | Description | Downloads/month |
|---|---|---|
| The core of the SEAMM environment and graphical interface. | 5K | |
| The installer/updater for MolSSI SEAMM | 2K | |
| A SEAMM plug-in for the Gaussian quantum chemistry program | 1K | |
| A plug-in for control parameters, e.g. command line arguments, for SEAMM | 1K | |
| A step in SEAMM for calculating diffusion coefficients from molecular dynamics | 935 | |
| A SEAMM plug-in for simple, quick minimization | 494 | |
| A SEAMM plugin for TorchANI, an ML model reproducing DFT and CC results | 444 | |
| A SEAMM plug-in for VASP | 425 | |
| A SEAMM plug-in for calculating energy profiles along coordinates | 386 | |
| A SEAMM plugin to calculate the structure of molecules & crystals | 319 | |
| A SEAMM plugin for running FHI-aims | 299 | |
| A SEAMM plug-in for calculating thermomechanical properties | 295 | |
| A SEAMM plug-in for subflowcharts | 267 | |
| A SEAMM step for handling properties in the database. | 189 | |
| A SEAMM plugin for finding transition states and reaction paths | 187 | |
| A SEAMM plug-in for Thermochemistry | 182 | |
| Cassandra is a Monte Carlo molecular simulation package. | 116 | |
| solvate_step | 99 |
