25 dependents
| Package | Description | Downloads/month |
|---|---|---|
| The core of the SEAMM environment and graphical interface. | 5K | |
| seamm_widgets | 2K | |
| A plug-in for DFTB+ in a SEAMM flowchart | 1K | |
| A SEAMM plug-in for the Gaussian quantum chemistry program | 1K | |
| This is a web dashboard to be used with MolSSI's [Simulation Environment for Ato... | 1K | |
| A plug-in for control parameters, e.g. command line arguments, for SEAMM | 1K | |
| seamm_ff_util | 1K | |
| A step in SEAMM for calculating diffusion coefficients from molecular dynamics | 989 | |
| Classes to execute background codes for SEAMM | 866 | |
| A SEAMM plug-in for custom Python scripts in a flowchart. | 555 | |
| A SEAMM plug-in for simple, quick minimization | 503 | |
| A SEAMM plugin for TorchANI, an ML model reproducing DFT and CC results | 492 | |
| A SEAMM plug-in for VASP | 442 | |
| A SEAMM plug-in for calculating energy profiles along coordinates | 354 | |
| A SEAMM plugin to calculate the structure of molecules & crystals | 334 | |
| A SEAMM plugin for running FHI-aims | 322 | |
| The SEAMM-ASE connector | 303 | |
| A SEAMM plug-in for calculating thermomechanical properties | 298 | |
| geomeTRIC connector for SEAMM | 287 | |
| A SEAMM plug-in for subflowcharts | 276 | |
| A SEAMM plugin for finding transition states and reaction paths | 197 | |
| A SEAMM step for handling properties in the database. | 196 | |
| A SEAMM plug-in for Thermochemistry | 182 | |
| Cassandra is a Monte Carlo molecular simulation package. | 133 | |
| solvate_step | 101 |
