GDS-Education-Community-of-Practice / DSECOPLinks
This repository contains data science educational materials developed by DSECOP Fellows.
☆51Updated 8 months ago
Alternatives and similar repositories for DSECOP
Users that are interested in DSECOP are comparing it to the libraries listed below
Sorting:
- A minimalistic atomic Density Functional Theory (DFT) code☆144Updated 2 weeks ago
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆97Updated this week
- A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).☆31Updated 2 years ago
- Interactive tutorials for the PIMD Massive Open Online Course☆24Updated 2 years ago
- Materials science with Python at the atomic-scale☆228Updated last week
- ☆12Updated 6 months ago
- ☆34Updated last year
- ☆101Updated last year
- A Set of Tutorials for the LAMMPS Simulation Package☆37Updated 3 months ago
- A widget to visualize and edit atomic structures in Jupyter Notebook☆45Updated last week
- 1D density functional theory code in Python☆141Updated 2 years ago
- HPRO: Hamiltonian Projection and Reconstruction to atomic Orbitals☆28Updated last year
- Quick Uncertainty and Entropy via STructural Similarity☆54Updated 3 weeks ago
- Nested Sampling code☆34Updated 6 months ago
- A many-body extension of the FLARE code.☆38Updated 3 years ago
- The materials for the Fall ML in Materials course at the UTK MSE☆88Updated 2 years ago
- ☆11Updated last year
- A Python library and command line interface for automated free energy calculations☆86Updated 3 weeks ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆39Updated 3 weeks ago
- dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning m…☆13Updated 3 weeks ago
- Statistical Mechanics on Lattices☆91Updated last week
- PySCF with auto-differentiation☆91Updated last week
- Collection of tutorials to use the MACE machine learning force field.☆50Updated last year
- Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.☆64Updated 9 months ago
- Collection of Tutorials on Machine Learning Interatomic Potentials☆23Updated last year
- Extended DeepH (xDeepH) method for magnetic materials.☆40Updated 2 years ago
- ☆30Updated 7 years ago
- Interactive exercises for Solid State Physics course at Aalto University (2024)☆37Updated 9 months ago
- New version of dft-book for Quantum Espresso☆47Updated 5 years ago
- Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.☆22Updated last year