| Name | Version | Summary | date |
| torchani-step |
2025.3.10 |
A SEAMM plug-in for TorchANI |
2025-03-10 21:36:19 |
| dftbplus-step |
2025.3.3 |
A SEAMM plug-in for DFTB+, a fast quantum mechanical simulation code. |
2025-03-03 20:37:43 |
| quickmin-step |
2025.2.24 |
A SEAMM plug-in for simple, quick minimization |
2025-02-24 19:21:52 |
| mopac-step |
2025.2.23 |
A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC |
2025-02-24 19:06:08 |
| geometry-analysis-step |
2025.2.9 |
A SEAMM plug-in for analysis of the geometry of particularly small molecules |
2025-02-09 11:41:41 |
| thermochemistry-step |
2025.1.31 |
A SEAMM plug-in for Thermochemistry |
2025-01-31 20:24:01 |
| packmol-step |
2025.1.29 |
A SEAMM plug-in for building periodic boxes of fluid using Packmol |
2025-01-29 21:32:15 |
| gaussian-step |
2025.1.29 |
A SEAMM plugin for A SEAMM plug-in for Gaussian |
2025-01-29 21:21:42 |
| seamm-ff-util |
2025.1.21 |
seamm_ff_util |
2025-01-21 18:50:15 |
| molsystem |
2025.1.14 |
molsystem |
2025-01-15 01:15:06 |
| reaction-path-step |
2024.12.14 |
A SEAMM plugin for finding transition states and reaction paths |
2024-12-15 00:51:51 |
| forcefield-step |
2024.12.14 |
A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations. |
2024-12-15 00:31:24 |
| energy-scan-step |
2024.12.14 |
A SEAMM plug-in for calculating energy profiles along coordinates |
2024-12-15 00:05:05 |
| seamm |
2024.12.7 |
The core of the SEAMM environment and graphical interface. |
2024-12-10 22:27:56 |
| psi4-step |
2024.12.7 |
A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4 |
2024-12-07 15:48:02 |
| loop-step |
2024.11.19 |
A SEAMM plug-in which provides loops in flowcharts. |
2024-11-19 19:03:36 |
| subflowchart-step |
2024.11.18 |
A SEAMM plug-in for subflowcharts |
2024-11-18 20:40:14 |
| fhi-aims-step |
2024.10.31 |
A SEAMM plug-in for FHI-aims |
2024-10-31 23:33:18 |
| from-smiles-step |
2024.10.31 |
A SEAMM plug-in for creating structures from a SMILES string. |
2024-10-31 13:48:06 |
| structure-step |
2024.10.24 |
A SEAMM plug-in for energy optimized structures |
2024-10-20 16:11:10 |
Paul Saxe