| Name | Version | Summary | date |
| loop-step |
2024.11.14 |
A SEAMM plug-in which provides loops in flowcharts. |
2024-11-14 18:46:02 |
| seamm |
2024.11.3 |
The core of the SEAMM environment and graphical interface. |
2024-11-03 22:41:13 |
| 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 |
| dftbplus-step |
2024.10.20 |
A SEAMM plug-in for DFTB+, a fast quantum mechanical simulation code. |
2024-10-20 21:56:34 |
| structure-step |
2024.10.24 |
A SEAMM plug-in for energy optimized structures |
2024-10-20 16:11:10 |
| torchani-step |
2024.10.15 |
A SEAMM plug-in for TorchANI |
2024-10-15 21:22:30 |
| mopac-step |
2024.10.15 |
A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC |
2024-10-15 21:15:23 |
| psi4-step |
2024.10.15 |
A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4 |
2024-10-15 21:10:22 |
| gaussian-step |
2024.10.15 |
A SEAMM plugin for A SEAMM plug-in for Gaussian |
2024-10-15 21:03:01 |
| seamm-widgets |
2024.10.10 |
seamm_widgets |
2024-10-10 21:50:13 |
| molsystem |
2024.10.1 |
molsystem |
2024-10-01 15:16:52 |
| seamm-util |
2024.8.22 |
seamm_util |
2024-08-22 14:40:03 |
| diffusivity-step |
2024.7.30 |
A SEAMM plug-in for Diffusivity |
2024-07-30 13:51:51 |
| forcefield-step |
2024.6.30 |
A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations. |
2024-06-30 19:34:06 |
| packmol-step |
2024.6.29 |
A SEAMM plug-in for building periodic boxes of fluid using Packmol |
2024-06-29 14:38:06 |
| seamm-ff-util |
2024.6.27 |
seamm_ff_util |
2024-06-28 17:08:02 |
| seamm-dashboard-client |
2024.6.27 |
A Python client for the SEAMM Dashboard RESTful API. |
2024-06-26 22:04:36 |
| thermal-conductivity-step |
2024.6.3 |
A SEAMM plug-in for Thermal Conductivity |
2024-06-03 16:45:38 |
| energy-scan-step |
2024.5.23 |
A SEAMM plug-in for calculating energy profiles along coordinates |
2024-05-23 18:23:21 |
Paul Saxe