Pecnut / course-pandasLinks
Data processing with Pandas course for the CM Hub at Imperial College
☆15Updated 5 years ago
Alternatives and similar repositories for course-pandas
Users that are interested in course-pandas are comparing it to the libraries listed below
Sorting:
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated last week
- Visualizations☆14Updated 3 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆17Updated 2 years ago
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Updated 10 months ago
- Analysing molecular dynamics simulations of crystalline materials using site occupations☆18Updated last month
- Some ongoing projects in Zhu's group☆28Updated last year
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆19Updated 2 years ago
- A general parser for VASP☆15Updated last week
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Updated 4 months ago
- Quick tools for materials chemistry☆19Updated last year
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Updated 9 years ago
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆13Updated last month
- A simple Lennard-Jones molecular dynamics software☆28Updated last year
- ☆17Updated 4 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- ☆11Updated 4 years ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆15Updated 5 years ago
- A program to automatically generate volcano plots for catalysis.☆15Updated 11 months ago
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆30Updated 3 weeks ago
- Generate isosurface from density data☆14Updated 6 months ago
- Simple Hartree-Fock codes in Python, C++, fortran☆15Updated 7 years ago
- Python package for enhancing VASP AIMD simulations and analysis☆13Updated 4 months ago
- Python Processing Tool for Vasp Ipnut/Output☆13Updated 2 years ago
- Generate atomic structures for common defects in materials☆19Updated last year
- Gaussian Approximation Potential Training☆17Updated 3 years ago
- Unfolding of first-principle electronic band structure☆14Updated 2 years ago
- MAterials Simulation Toolkit for use with pymatgen☆17Updated last year
- Calculation of vibrational spectra with quantum nuclear motion☆12Updated last year
- The TurboGAP code☆21Updated last month
- Jupyter Book source files for 2022 MSD summer research internship.☆13Updated 2 years ago