Name | Version | Summary | date |
weas-widget |
0.0.14 |
A widget to visualize and interact with atomistic structures in Jupyter Notebook. |
2024-03-04 16:07:24 |
dftbplus-step |
2024.1.18 |
A SEAMM plug-in for DFTB+, a fast quantum mechanical simulation code. |
2024-01-19 00:20:38 |
read-structure-step |
2023.11.16 |
A SEAMM plug-in to read common formats in computational chemistry |
2023-11-16 19:46:01 |
supercell-step |
2023.11.5 |
A SEAMM plug-in for building supercells of periodic systems. |
2023-11-05 22:13:33 |
dscribe |
2.1.0 |
A Python package for creating feature transformations in applications of machine learning to materials science. |
2023-09-06 05:10:15 |
iprPy |
0.11.6 |
Interatomic Potential Repository Python Property Calculations and Tools |
2023-07-31 21:07:34 |
atomman |
1.4.10 |
Atomistic Manipulation Toolkit |
2023-07-30 03:04:58 |
potentials |
0.3.7 |
API database tools for accessing the NIST Interatomic Potentials Repository: explore and download interatomic potentials and computed properties. |
2023-07-27 17:47:16 |
atsim.potentials |
0.4.1 |
atsim.potentials provides tools for working with pair and embedded atom method potential models including tabulation routines for DL_POLY and LAMMPS |
2022-12-22 20:01:20 |