Reverse Dependencies of seamm
The following projects have a declared dependency on seamm:
- cassandra-step — Cassandra is a Monte Carlo molecular simulation package.
- control-parameters-step — A SEAMM plug-in for defining command-line parameters for a flowchart.
- crystal-builder-step — A SEAMM plug-in for creating crystals from prototypes, including Strukturbericht designations.
- custom-step — A SEAMM plug-in for custom Python scripts in a flowchart.
- dftbplus-step — A SEAMM plug-in for DFTB+, a fast quantum mechanical simulation code.
- diffusivity-step — A SEAMM plug-in for Diffusivity
- energy-scan-step — A SEAMM plug-in for calculating energy profiles along coordinates
- fhi-aims-step — A SEAMM plug-in for FHI-aims
- forcefield-step — A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.
- from-smiles-step — A SEAMM plug-in for creating structures from a SMILES string.
- gaussian-step — A SEAMM plugin for A SEAMM plug-in for Gaussian
- geometry-analysis-step — A SEAMM plug-in for analysis of the geometry of particularly small molecules
- lammps-step — A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.
- loop-step — A SEAMM plug-in which provides loops in flowcharts.
- mopac-step — A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC
- packmol-step — A SEAMM plug-in for building periodic boxes of fluid using Packmol
- properties-step — A SEAMM plug-in for Properties
- psi4-step — A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4
- pyxtal-step — A SEAMM plugin for PyXtal for building atomic and molecular crystals.
- qcarchive-step — A SEAMM plug-in for QCArchive
- quickmin-step — A SEAMM plug-in for simple, quick minimization
- rdkit-step — A SEAMM plugin for A SEAMM plug-in for RDKit
- reaction-path-step — A SEAMM plugin for finding transition states and reaction paths
- read-structure-step — A SEAMM plug-in to read common formats in computational chemistry
- seamm-exec — Classes to execute background codes for SEAMM
- seamm-jobserver — seamm_jobserver
- set-cell-step — A SEAMM plug-in for setting the periodic (unit) cell.
- solvate-step — solvate_step
- strain-step — A SEAMM plug-in for straining periodic systems
- structure-step — A SEAMM plug-in for energy optimized structures
- subflowchart-step — A SEAMM plug-in for subflowcharts
- supercell-step — A SEAMM plug-in for building supercells of periodic systems.
- table-step — A SEAMM plug-in for data tables in a flowchart.
- thermal-conductivity-step — A SEAMM plug-in for Thermal Conductivity
- thermochemistry-step — A SEAMM plug-in for Thermochemistry
- torchani-step — A SEAMM plug-in for TorchANI
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