MasterLegend / PyML
Python and Machine Learning Course
☆76Updated last year
Related projects ⓘ
Alternatives and complementary repositories for PyML
- 新生入学培训资料☆17Updated 2 years ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆16Updated 2 months ago
- ☆22Updated 2 years ago
- ☆39Updated 6 years ago
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆52Updated 6 months ago
- ☆111Updated 5 years ago
- Generate random alloys and compute various properties☆47Updated 5 months ago
- ☆46Updated 2 years ago
- ASE interface for fully constant potential with VASP☆27Updated last month
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆98Updated 2 weeks ago
- The Materials Project Workshop Curriculum☆112Updated last year
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆51Updated 5 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆51Updated 2 years ago
- ☆48Updated 3 years ago
- ☆15Updated 3 years ago
- NEP训练可视化☆14Updated this week
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆26Updated last week
- Fix lattice component(s) during relaxation in VASP☆105Updated 2 years ago
- Visualize vibrational modes from VASP calculations☆37Updated 2 years ago
- Solvation model for the plane wave DFT code VASP.☆136Updated 4 months ago
- Examples demonstrating how to reproduce the results in the paper.☆49Updated 2 weeks ago
- ☆103Updated 2 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆52Updated 5 years ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆64Updated 8 months ago
- A python interface of NEP☆49Updated last month
- LAMMPS interface for phonon calculations using phonopy☆84Updated 2 months ago
- Tutorials on CP2K calculations☆43Updated 2 years ago
- cp2k postprocessing tools☆60Updated 2 weeks ago
- Defect structure-searching employing chemically-guided bond distortions☆82Updated 2 weeks ago
- A grain boundary generation code☆56Updated last year