Alternatives and similar repositories for Bayesian_Optimization_Material_design:

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

• angeloziletti / ai4materials
  Deep learning for crystal-structure recognition and analysis of atomic structures
  ☆41Updated 11 months ago
• janosh / thermo
  Data-driven risk-conscious thermoelectric materials discovery
  ☆15Updated 3 weeks ago
• YueyuZhang / IM2ODE
  Inverse Design of Materials by Multi-objective Differential Evolution
  ☆48Updated 5 years ago
• qzhu2017 / PyXtal_ml
  a Python3 library for ML modeling materials properties
  ☆11Updated 5 years ago
• frankNiessen / ASE_VASP_automation
  Automation of VASP DFT workflows with ASE - application scripts
  ☆12Updated last year
• masayoshi-ogura / HDNNP
  high dimensional neural network potential
  ☆21Updated 2 years ago
• luzihen / pymatgen_examples
  Some examples of using pymatgen code
  ☆21Updated 4 months ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆59Updated 4 months ago
• KanHatakeyama / Integrating-multiple-materials-science-projects
  ☆14Updated 2 years ago
• qzhu2017 / RDF
  A code to compute the radial distribution function
  ☆21Updated 5 years ago
• Chen-Cai-OSU / hea-ml
  Machine Learning for High Entropy Alloy
  ☆14Updated 4 years ago
• Baijianlu / mDCThermalC
  A software to calculate thermal conductivity quickly and accurately
  ☆34Updated 4 years ago
• argonne-lcf / active-learning-md
  Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…
  ☆27Updated 3 years ago
• lmj1029123 / SingleNN
  SingleNN, a NN potential for energy and forces
  ☆9Updated 3 years ago
• CSIprinceton / workshop-july-2020
  Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020
  ☆23Updated 4 years ago
• kmu / cif2cell
  cif2cell compatible with Python 3+
  ☆11Updated 2 years ago
• PKUsamPHTeam / ASPH-Code
  data and code to reduplicate paper: Topological representations of crystalline compounds for the machine-learning prediction of materials…
  ☆18Updated 4 years ago
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated last year
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆33Updated 6 months ago
• 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…
  ☆26Updated this week
• MaterSim / CMS
  Some ongoing projects in Zhu's group
  ☆27Updated 9 months ago
• CumbyLab / gridrdf
  Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…
  ☆12Updated last year
• pylada / pylada-light
  A physics computational framework for python and ipython
  ☆38Updated last year
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆48Updated 2 months ago
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 4 years ago
• aryandeshwal / BO_of_COFs
  Python code for the paper Bayesian Optimization of Nanoporous Materials.
  ☆21Updated last year
• chuanxun / StructurePrototypeAnalysisPackage
  Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.
  ☆23Updated 2 years ago
• Qi-max / amlearn
  Machine Learning Package Targeted for Amorphous Materials.
  ☆19Updated 3 years ago
• xtalopt / randSpg
  Random symmetric initialization of crystals
  ☆20Updated 7 years ago
• CitrineInformatics / MPEA_dataset
  Expanded dataset of mechanical properties and observed phases of multi-principal element alloys
  ☆32Updated 2 years ago