Alternatives and similar repositories for MatDesINNe

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

• aryandeshwal / BO_of_COFs
  Python code for the paper Bayesian Optimization of Nanoporous Materials.
  ☆21Updated 2 years ago
• williamratcliff / GNN-tutorial-APS-March-2023
  These are the slides associated with the GNN tutorial at the APS March Meeting
  ☆21Updated 2 years ago
• rajak7 / Bayesian_Optimization_Material_design
  Accelerated Design of Layered Materials with Bayesian Optimization
  ☆18Updated 6 years ago
• KanHatakeyama / Integrating-multiple-materials-science-projects
  ☆14Updated 2 years ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 2 years ago
• lamm-mit / atomic2field
  Codes for translating structural defects to atomic properties
  ☆14Updated 2 years ago
• peizong / alloy2vec
  ☆11Updated 7 months ago
• Ramprasad-Group / polyVERSE
  polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.
  ☆18Updated this week
• materials-data-facility / llm-resources
  ☆20Updated last year
• lantunes / skipatom
  Distributed representations of atoms, inspired by the Skip-gram model
  ☆26Updated last year
• sparks-baird / mat_discover
  A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
  ☆41Updated 8 months ago
• tsudalab / MDTS
  Materials Design by Monte Carlo Tree Search
  ☆34Updated 3 years ago
• angeloziletti / ai4materials
  Deep learning for crystal-structure recognition and analysis of atomic structures
  ☆41Updated last year
• gabrielecoli / CNN-based-Inverse-Design
  All the codes and data used in "Inverse design of soft materials via a deep-learning-based evolutionary strategy", by G. M. Coli, E. Boat…
  ☆11Updated 3 years ago
• Open-Catalyst-Project / AdsorbML
  Corresponding dataset and tools for the AdsorbML manuscript.
  ☆40Updated 3 months ago
• WMD-group / PyTASER
  Python package to simulate differential absorption spectra of crystals from first principles
  ☆30Updated last month
• CompRhys / aviary
  The Wren sits on its Roost in the Aviary.
  ☆55Updated 3 weeks ago
• yingtaoluo / Probabilistic-density-network
  Probability-density-based deep learning paradigm for the fuzzy design of functional metastructures. Research AAAS & NeurIPS ML4PS.
  ☆20Updated 2 years ago
• epam / SciGlass
  The database contains a vast set of data on the properties of glass materials.
  ☆43Updated 5 years ago
• janosh / thermo
  Data-driven risk-conscious thermoelectric materials discovery
  ☆16Updated this week
• pedrobcst / Xerus
  XRay Estimation and Refinement Using Similarity (XERUS)
  ☆32Updated 3 months ago
• molmd / mispr
  A software for automating materials science computations
  ☆30Updated last month
• THGLab / MLHessian-TSopt
  ☆16Updated 9 months ago
• Ramprasad-Group / ML-DFT
  Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.
  ☆19Updated 8 months ago
• MathWorks-Teaching-Resources / Density-Functional-Theory
  Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes
  ☆15Updated 3 weeks ago
• MaterialEyes / Plot2Spec
  an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)
  ☆35Updated 2 years ago
• m-k-S / awesome-machine-learning-atomistic-simulation
  An overview of literature that discusses the use of machine learning for atomistic simulations
  ☆45Updated 2 years ago
• CumbyLab / gridrdf
  Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…
  ☆12Updated last year
• Fung-Lab / StructRepGen
  Atomic Structure Generation from Reconstructing Structural Fingerprints
  ☆15Updated 2 years ago
• SPARC-X / M-SPARC
  Matlab Simulation Package for Ab-initio Real-space Calculations
  ☆28Updated 5 months ago