PyDigger - unearthing stuff about Python


NameVersionSummarydate
xdatbus 0.2.7 A Python package for post-analysis of VASP AIMD data 2024-03-17 23:40:16
siman 1.6.9 Manager for DFT calculations 2024-03-13 12:47:05
custodian 2024.3.12 A simple JIT job management framework in Python. 2024-03-12 19:08:52
nonrad 1.2.0 Implementation for computing nonradiative recombination rates in semiconductors 2024-03-11 23:52:35
pymatgen 2024.3.1 Python Materials Genomics is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project (https://materialsproject.org). 2024-03-01 14:44:18
atomate2 0.0.14 atomate2 is a library of materials science workflows 2024-02-29 14:34:54
mp-pyrho 0.4.4 Tools for re-griding periodic volumetric quantum chemistry data for machine-learning purposes. 2024-02-23 02:55:28
ifermi 0.3.4 Fermi surface plotting tool from DFT output 2024-02-06 21:14:44
vasp-manager 1.1.4 A simple package to run and analyze VASP calculations 2024-01-17 23:50:29
sumo 2.3.8 Heavy weight plotting tools for ab initio solid-state calculations 2024-01-10 12:29:05
ppVASPy 0.0.1 Post-processes VASP outputs 2024-01-05 23:10:28
vasp-pp 0.0.4 Post-processes VASP outputs 2024-01-05 22:25:02
bandplot 0.1.6.1 Band structure, DOS or phonon band structure plot from vaspkit or phonopy result. 2023-11-25 00:30:08
dpdata 0.2.17 Manipulating data formats of DeePMD-kit, VASP, QE, PWmat, and LAMMPS, etc. 2023-10-31 02:25:03
fpdataviewer 1.0.1 Reads first-principle molecular simulation data and graphs various statistics 2023-09-28 22:07:44
ipyvasp 0.7.8 A processing tool for VASP DFT input/output processing in Jupyter Notebook. 2023-09-19 23:54:30
amset 0.4.20 AMSET is a tool to calculate carrier transport properties from ab initio calculation data 2023-08-24 20:25:33
pymatgen-analysis-diffusion 2023.8.15 Add-on to pymatgen for diffusion analysis. 2023-08-16 04:00:39
dosmaster 1.7.13 DOS(Density Of States) Plot Smartly in Terminal 2023-08-04 08:49:35
pyphotonics 0.1.6 The PyPhotonics python code is a post-processing code written entirely in python which takes as input the output files of the VASP and phonopy codes for a defect system, and calculates the Huang-Rhys factor and the PL lineshapes for that system. 2023-07-27 07:25:25
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