pypi.org "molssi" 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
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
Top 8.7% on pypi.org
154 versions - Latest release: about 14 hours ago - 26 dependent packages - 24 dependent repositories - 5.3 thousand downloads last month - 17 stars on GitHub - 1 maintainer
seamm 2026.11.6
The core of the SEAMM environment and graphical interface.154 versions - Latest release: about 14 hours ago - 26 dependent packages - 24 dependent repositories - 5.3 thousand downloads last month - 17 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
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
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
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
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
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
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
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-util 2026.10.30
seamm_util57 versions - Latest release: 7 days ago - 24 dependent packages - 15 dependent repositories - 5.21 thousand downloads last month - 1 stars on GitHub - 1 maintainer
zenopy 2022.10.29
zenopy: A Python wrapper package for Zenodo API3 versions - Latest release: about 4 years ago - 1 dependent repositories - 54 downloads last month - 7 stars on GitHub - 1 maintainer
Related Keywords
computational-chemistry
16
computational-materials-science
16
molssi-seamm
16
SEAMM
14
flowchart
12
plug-in
11
atomistic
4
data
2
DFT
2
Open Babel
1
molsystem
1
lammps
1
MD
1
molecular dynamics
1
OpenKIM
1
EAM
1
forcefield
1
prototype
1
Strukturbericht
1
crystal
1
zenodo
1
molecules
1
files
1
cookiecutter
1
template
1
package
1
MolSSI
1
seamm
1
seamm_util
1
SMILES
1
molecule
1
custom
1
python
1
SEAMMplugin
1
control
1
loops
1
quantum
1
simulation
1
DFTB+
1
DFTBplus
1
tight-binding
1
dftb
1
dftbplus
1
table
1
csv
1
Psi4
1
quantum chemistry
1
CCSD
1
psi4
1
supercell
1
unitcell
1
periodic
1
zenopy
1
chemai
1
dataengineering
1
datascience
1
molssi-best-practices
1