pypi.org "SEAMM" keyword
lammps-step 2026.11.6
A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.139 versions - Latest release: about 14 hours ago - 1 dependent repositories - 2.5 thousand downloads last month - 2 stars on GitHub - 1 maintainer
vibrational-analysis-step 2026.11.5.1
A SEAMM plug-in for Vibrational Analysis2 versions - Latest release: 1 day ago - 0 stars on GitHub - 1 maintainer
custom-step 2026.11.6
A SEAMM plug-in for custom Python scripts in a flowchart.14 versions - Latest release: about 14 hours ago - 1 dependent repositories - 121 downloads last month - 0 stars on GitHub - 1 maintainer
read-structure-step 2026.11.6
A SEAMM plug-in to read common formats in computational chemistry67 versions - Latest release: about 16 hours ago - 1 dependent repositories - 1.24 thousand downloads last month - 0 stars on GitHub - 1 maintainer
normal-mode-sampling-step 2026.11.5
A SEAMM plug-in for Wigner/thermal normal-mode sampling of the Hessian to generate displaced stru...4 versions - Latest release: 1 day ago - 240 downloads last month - 0 stars on GitHub - 1 maintainer
thermochemistry-step 2026.11.5
A SEAMM plug-in for Thermochemistry19 versions - Latest release: 1 day ago - 51 downloads last month - 0 stars on GitHub - 1 maintainer
xtb-step 2026.11.5
A SEAMM plug-in for xTB7 versions - Latest release: 1 day ago - 50 downloads last month - 1 maintainer
mopac-step 2026.11.5
A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC83 versions - Latest release: 1 day ago - 1 dependent repositories - 909 downloads last month - 1 maintainer
orca-step 2026.11.5
A SEAMM plug-in for ORCA68 versions - Latest release: 1 day ago - 1.36 thousand downloads last month - 0 stars on GitHub - 1 maintainer
seamm-cookiecutter 2022.10.20
Cookiecutter for SEAMM plug-ins, substeps and forcefields6 versions - Latest release: about 4 years ago - 1 dependent repositories - 22 downloads last month - 2 stars on GitHub - 1 maintainer
rdkit-step 2023.2.22
A SEAMM plugin for A SEAMM plug-in for RDKit2 versions - Latest release: over 3 years ago - 1 dependent repositories - 81 downloads last month - 0 stars on GitHub - 1 maintainer
pyxtal-step 2021.7.29
A SEAMM plugin for PyXtal for building atomic and molecular crystals.1 version - Latest release: over 5 years ago - 1 dependent repositories - 102 downloads last month - 0 stars on GitHub - 1 maintainer
packmol-step 2026.3.1
A SEAMM plug-in for building periodic boxes of fluid using Packmol40 versions - Latest release: 8 months ago - 1 dependent repositories - 160 downloads last month - 1 maintainer
forcefield-step 2026.2.26
A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.47 versions - Latest release: 8 months ago - 1 dependent repositories - 165 downloads last month - 1 maintainer
torchani-step 2025.3.10
A SEAMM plug-in for TorchANI6 versions - Latest release: over 1 year ago - 31 downloads last month - 1 stars on GitHub - 1 maintainer
crystal-builder-step 2022.7.31
A SEAMM plug-in for creating crystals from prototypes, including Strukturbericht designations.6 versions - Latest release: over 4 years ago - 1 dependent repositories - 118 downloads last month - 1 stars on GitHub - 1 maintainer
from-smiles-step 2025.5.14
A SEAMM plug-in for creating structures from a SMILES string.27 versions - Latest release: over 1 year ago - 2 dependent repositories - 68 downloads last month - 0 stars on GitHub - 1 maintainer
psi4-step 2026.10.24
A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi445 versions - Latest release: 13 days ago - 1 dependent repositories - 298 downloads last month - 5 stars on GitHub - 1 maintainer
atomic-charges-step 2026.10.21
A SEAMM plug-in for computing atomic (partial) charges from a converged8 versions - Latest release: 16 days ago - 114 downloads last month - 0 stars on GitHub - 1 maintainer
energy-scan-step 2026.10.21
A SEAMM plug-in for calculating energy profiles along coordinates12 versions - Latest release: 17 days ago - 199 downloads last month - 0 stars on GitHub - 1 maintainer
supercell-step 2026.10.6
A SEAMM plug-in for building supercells of periodic systems.10 versions - Latest release: about 1 month ago - 1 dependent repositories - 58 downloads last month - 0 stars on GitHub - 1 maintainer
fhi-aims-step 2026.10.24
A SEAMM plug-in for FHI-aims7 versions - Latest release: 13 days ago - 186 downloads last month - 3 stars on GitHub - 1 maintainer
geometry-analysis-step 2026.10.5
A SEAMM plug-in for analysis of the geometry of particularly small molecules8 versions - Latest release: about 1 month ago - 245 downloads last month - 1 stars on GitHub - 1 maintainer
dimer-builder-step 2026.10.20
A SEAMM plug-in for Dimer Builder11 versions - Latest release: 17 days ago - 315 downloads last month - 0 stars on GitHub - 1 maintainer
dielectric-constant-step 2026.10.21
A SEAMM plug-in for Dielectric Constant5 versions - Latest release: 16 days ago - 0 downloads last month - 0 stars on GitHub - 1 maintainer
properties-step 2026.10.5
A SEAMM plug-in for Properties5 versions - Latest release: about 1 month ago - 221 downloads last month - 0 stars on GitHub - 1 maintainer
model-chemistry-step 2026.10.16
A SEAMM plug-in for defining the model chemistry for subsequent steps11 versions - Latest release: 22 days ago - 682 downloads last month - 0 stars on GitHub - 1 maintainer
control-parameters-step 2026.10.30
A SEAMM plug-in for defining command-line parameters for a flowchart.19 versions - Latest release: 7 days ago - 1 dependent repositories - 197 downloads last month - 0 stars on GitHub - 1 maintainer
strain-step 2026.10.6
A SEAMM plug-in for straining periodic systems3 versions - Latest release: about 1 month ago - 107 downloads last month - 0 stars on GitHub - 1 maintainer
extract-clusters-step 2026.9.19
A SEAMM plugin for A SEAMM plug-in for extracting molecular clusters from a periodic cell of mole...6 versions - Latest release: about 2 months ago - 651 downloads last month - 0 stars on GitHub - 1 maintainer
diffusivity-step 2026.10.17
A SEAMM plug-in for Diffusivity20 versions - Latest release: 20 days ago - 50 downloads last month - 0 stars on GitHub - 1 maintainer
table-step 2026.10.5
A SEAMM plug-in for data tables in a flowchart.19 versions - Latest release: about 1 month ago - 1 dependent repositories - 454 downloads last month - 0 stars on GitHub - 1 maintainer
gaussian-step 2026.10.31
A SEAMM plugin for A SEAMM plug-in for Gaussian41 versions - Latest release: 7 days ago - 310 downloads last month - 1 stars on GitHub - 1 maintainer
active-learning-step 2026.10.29.1
A SEAMM plug-in for Active Learning5 versions - Latest release: 8 days ago - 0 downloads last month - 0 stars on GitHub - 1 maintainer
dftbplus-step 2026.10.24
A SEAMM plug-in for DFTB+, a fast quantum mechanical simulation code.46 versions - Latest release: 13 days ago - 1 dependent repositories - 229 downloads last month - 2 stars on GitHub - 1 maintainer
loop-step 2026.10.30.2
A SEAMM plug-in which provides loops in flowcharts.52 versions - Latest release: 7 days ago - 1 dependent repositories - 778 downloads last month - 1 stars on GitHub - 1 maintainer
set-cell-step 2026.10.17
A SEAMM plug-in for Set Cell5 versions - Latest release: 20 days ago - 1 dependent repositories - 38 downloads last month - 0 stars on GitHub - 1 maintainer
energy-step 2026.10.3
A SEAMM plugin for A SEAMM plug-in for calculating the energy and forces for many structures, usi...3 versions - Latest release: about 1 month ago - 365 downloads last month - 0 stars on GitHub - 1 maintainer
molsystem 2026.10.31
molsystem108 versions - Latest release: 6 days ago - 7 dependent packages - 2 dependent repositories - 5.26 thousand downloads last month - 5 stars on GitHub - 2 maintainers
seamm-dashboard-client 2026.10.30
A Python client for the SEAMM Dashboard RESTful API.18 versions - Latest release: 7 days ago - 1 dependent package - 3.36 thousand downloads last month - 0 stars on GitHub - 1 maintainer
seamm-installer 2026.8.10
The installer/updater for SEAMM (Simulation Environment for Atomistic and Molecular Simulations).58 versions - Latest release: 3 months ago - 1 dependent repositories - 273 downloads last month - 0 stars on GitHub - 1 maintainer
golden-step 2026.7.28
A SEAMM plug-in for Golden1 version - Latest release: 3 months ago - 100 downloads last month - 0 stars on GitHub - 1 maintainer
structure-step 2026.10.19
A SEAMM plug-in for energy optimized structures8 versions - Latest release: 18 days ago - 46 downloads last month - 0 stars on GitHub - 1 maintainer
seamm-datastore 2026.10.1
seamm_datastore20 versions - Latest release: about 1 month ago - 3 dependent packages - 2 dependent repositories - 2.57 thousand downloads last month - 1 stars on GitHub - 1 maintainer
vasp-step 2026.3.1
A SEAMM plug-in for VASP9 versions - Latest release: 8 months ago - 154 downloads last month - 1 maintainer
thermomechanical-step 2026.3.1
A SEAMM plug-in for calculating thermomechanical properties7 versions - Latest release: 8 months ago - 75 downloads last month - 0 stars on GitHub - 1 maintainer
thermal-conductivity-step 2026.3.1
A SEAMM plug-in for Thermal Conductivity8 versions - Latest release: 8 months ago - 444 downloads last month - 1 maintainer
reaction-path-step 2026.3.1
A SEAMM plugin for finding transition states and reaction paths2 versions - Latest release: 8 months ago - 113 downloads last month - 1 stars on GitHub - 1 maintainer
subflowchart-step 2026.3.1
A SEAMM plug-in for subflowcharts4 versions - Latest release: 8 months ago - 127 downloads last month - 0 stars on GitHub - 1 maintainer
qcarchive-step 2026.3.1
A SEAMM plug-in for QCArchive2 versions - Latest release: 8 months ago - 107 downloads last month - 0 stars on GitHub - 1 maintainer
quickmin-step 2026.3.1
A SEAMM plug-in for simple, quick minimization12 versions - Latest release: 8 months ago - 108 downloads last month - 2 stars on GitHub - 1 maintainer
Related Keywords
flowchart
47
SEAMMplugin
30
plug-in
17
computational-chemistry
14
computational-materials-science
14
molssi
14
molssi-seamm
14
atomistic
4
forcefield
3
molecules
2
DFT
2
OpenKIM
2
EAM
2
molecular dynamics
1
prototype
1
Strukturbericht
1
MD
1
lammps
1
molsystem
1
PyXtal
1
crystals
1
Packmol
1
control
1
fluid
1
Open Babel
1
files
1
cookiecutter
1
template
1
package
1
MolSSI
1
SEAMMDashboard
1
RESTful
1
client
1
SMILES
1
molecule
1
custom
1
python
1
loops
1
quantum
1
simulation
1
DFTB+
1
DFTBplus
1
tight-binding
1
dftb
1
dftbplus
1
table
1
data
1
csv
1
Psi4
1
quantum chemistry
1
CCSD
1
psi4
1
supercell
1
unitcell
1
periodic
1
installer
1
updater
1
MOPAC
1
semiempirical
1
orbitals
1
datastore
1
dashboard
1
crystal
1