Alternatives and similar repositories for DSECOP

Users that are interested in DSECOP are comparing it to the libraries listed below

• by256 / rdfpy
  A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).
  ☆31Updated last year
• theochem / tinydft
  A minimalistic atomic Density Functional Theory (DFT) code
  ☆137Updated this week
• libAtoms / matscipy
  Materials science with Python at the atomic-scale
  ☆216Updated last month
• SPARC-X / SPARC-X-API
  ☆12Updated 2 months ago
• mala-project / mala
  Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
  ☆94Updated last week
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆135Updated 2 years ago
• i-pi / pimd-mooc
  Interactive tutorials for the PIMD Massive Open Online Course
  ☆23Updated 2 years ago
• joselado / SolidStatePhysics2024
  Interactive exercises for Solid State Physics course at Aalto University (2024)
  ☆36Updated 5 months ago
• kayahans / qmc-dft-python
  Educational code for Density Functional Theory and Quantum Monte Carlo with Python
  ☆20Updated 6 years ago
• SergeiVKalinin / MSE_Fall2023
  The materials for the Fall ML in Materials course at the UTK MSE
  ☆86Updated last year
• williamratcliff / APS-GDS-March-2024-Data-Science-Tutorial
  ☆11Updated last year
• ML-Materials-Standards / ml-materials-checklist
  ☆34Updated 10 months ago
• pranabdas / espresso
  Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
  ☆142Updated last week
• SPARC-X / SPARC
  Simulation Package for Ab-initio Real-space Calculations
  ☆87Updated last month
• sblisesivdin / gpaw-tools
  gpaw-tools is a powerful and user-friendly UI/GUI tool for conducting Density Functional Theory (DFT) and molecular dynamics (MD) calcula…
  ☆28Updated last month
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆47Updated 2 months ago
• Abravene / Python-Notebooks-for-Physical-Chemistry
  Interactive Python Notebooks for Physical Chemistry
  ☆30Updated 2 years ago
• henriasv / lammps-logfile
  Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.
  ☆63Updated 5 months ago
• XanaduAI / GradDFT
  GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine l…
  ☆103Updated last year
• MathWorks-Teaching-Resources / Density-Functional-Theory
  Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes
  ☆16Updated 4 months ago
• amepproject / amep
  The Active Matter Evaluation Package (AMEP) - a Python library for the analysis of particle-based and continuum simulation data of soft a…
  ☆21Updated 2 months ago
• nmardirossian / PySCF_Tutorial
  ☆30Updated 7 years ago
• ICAMS / python-ace
  ☆90Updated 9 months ago
• marykcoe / cDFT_Package
  A python package for classical Density Functional Theory (cDFT). This package allows you to find the equilibrium density profile of an in…
  ☆26Updated 3 years ago
• deepmodeling / DeePTB
  DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.
  ☆84Updated 2 weeks ago
• Andrew-S-Rosen / periodic_trends
  Python script to plot periodic trends as a heat map over the periodic table of elements
  ☆104Updated 2 weeks ago
• Xiaoxun-Gong / HPRO
  HPRO: Hamiltonian Projection and Reconstruction to atomic Orbitals
  ☆24Updated 9 months ago
• pace-neutrons / Euphonic
  Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…
  ☆37Updated this week
• mir-group / flare_pp
  A many-body extension of the FLARE code.
  ☆36Updated 3 years ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆42Updated 8 months ago