Alternatives and similar repositories for sandbox

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

• matlantis / matlantis-contrib
  ☆44Updated 3 weeks ago
• matlantis / atomistic-simulation-tutorial
  Atomistic simulation hands on tutorial on Matlantis
  ☆52Updated 3 weeks ago
• yoshida-lab / MTL_ChiParameter
  Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters
  ☆16Updated last year
• giprayogo / SHRY
  A tool for generating unique ordered structures corresponding to a given disordered structure.
  ☆17Updated last year
• mjrs33 / paper
  ☆26Updated 2 years ago
• cmsi / MateriAppsLive
  Live Debian GNU/Linux System for MateriApps Applications
  ☆57Updated last week
• quantumbeam / BBO-Rietveld
  Automated crystal structure analysis based on blackbox optimisation
  ☆32Updated 10 months ago
• gaox-qd / pysoc
  PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+
  ☆42Updated last year
• koji-inui / automatic-hamiltonian-design
  ☆35Updated 3 years ago
• kanojikajino / ml4chem
  「機械学習による分子最適化」のサポートページ
  ☆12Updated last year
• yoshida-lab / XenonPy
  XenonPy is a Python Software for Materials Informatics
  ☆143Updated last year
• issp-center-dev / abICS
  ab-Initio Configuration Sampling tool kit (abICS)
  ☆17Updated 3 months ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆11Updated 6 months ago
• hikaruri / OMXsigmaxy
  Computing anomalous Hall conductivity in OpenMX
  ☆11Updated 2 years ago
• Tomoki-YAMASHITA / CrySPY
  CrySPY is a crystal structure prediction tool written in Python.
  ☆136Updated last month
• pfnet-research / torch-dftd
  pytorch implementation of dftd2 & dftd3 (not actively maintained)
  ☆83Updated 9 months ago
• issp-center-dev / PHYSBO
  PHYSBO -- optimization tools for PHYsics based on Bayesian Optimization
  ☆77Updated 2 weeks ago
• SALMON-TDDFT / SALMON
  Scientific program for first-principles electron dynamics calculations
  ☆19Updated 6 years ago
• tsudalab / combo3
  COMBO for Python 3
  ☆34Updated 2 years ago
• qiqb-osaka / mace-osaka24
  MACE_Osaka24 models
  ☆17Updated 8 months ago
• jjgoings / pyqchem
  Python quantum chemistry (experimental and test routines)
  ☆12Updated 4 years ago
• smparker / mudslide
  Python implementation of Tully's Fewest Switches Surface Hopping
  ☆18Updated 2 months ago
• sunqm / pbchf
  An example to implement PBC SCF
  ☆14Updated 7 years ago
• shin1koda / dmf
  A Python implementation of the direct MaxFlux method for transition state search
  ☆31Updated last month
• Quantum-Dynamics-Hub / libra-code
  ☆51Updated this week
• kaityo256 / mdstep
  分子動力学法ステップ・バイ・ステップ
  ☆15Updated 5 years ago
• kumagai-group / vise
  VASP Integrated Supporting Environment
  ☆24Updated 2 months ago
• wannier-utils-dev / cif2qewan
  ☆18Updated last year
• compchem-cybertraining / Tutorials_Libra
  Tutorials showcasing various capabilities of Libra
  ☆23Updated this week
• s-nanjo / Spacier
  ☆12Updated 9 months ago