33 dependents
| Package | Description | Downloads/month |
|---|---|---|
| A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code. | 3K | |
| A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC | 2K | |
| A SEAMM plug-in to read and write common formats in computational chemistry | 2K | |
| A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent sim... | 2K | |
| A SEAMM plug-in for building periodic boxes of fluid using Packmol | 1K | |
| A plug-in for DFTB+ in a SEAMM flowchart | 1K | |
| A SEAMM plug-in for the Gaussian quantum chemistry program | 1K | |
| A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using P... | 1K | |
| A SEAMM plug-in which provides loops in flowcharts. | 1K | |
| A plug-in for control parameters, e.g. command line arguments, for SEAMM | 1K | |
| A SEAMM plug-in for creating structures from a SMILES string. | 980 | |
| A step in SEAMM for calculating diffusion coefficients from molecular dynamics | 935 | |
| Classes to execute background codes for SEAMM | 891 | |
| The JobServer for the SEAMM environment. | 604 | |
| A SEAMM plug-in for data tables in a flowchart. | 602 | |
| A SEAMM plug-in for Thermal Conductivity | 558 | |
| A SEAMM plug-in for custom Python scripts in a flowchart. | 538 | |
| 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 building supercells of periodic systems. | 399 | |
| A SEAMM plug-in for calculating energy profiles along coordinates | 386 | |
| A SEAMM plug-in for analysis of the geometry of particularly small molecules | 365 | |
| 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 | |
| A SEAMM plug-in for QCArchive | 159 | |
| Cassandra is a Monte Carlo molecular simulation package. | 116 | |
| solvate_step | 99 |
