Alternatives and similar repositories for Discover_MG_CoVZr

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

• anhender / mse_ML_datasets
  ☆15Updated 3 years ago
• originofmatter / MatGAN
  Generative deep learning model for inorganic materials
  ☆18Updated 2 years ago
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆34Updated 4 months ago
• CJBartel / TestStabilityML
  ☆26Updated last year
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆79Updated last week
• lantunes / skipatom
  Distributed representations of atoms, inspired by the Skip-gram model
  ☆26Updated 2 years ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆56Updated last week
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 years ago
• ulissigroup / amptorch
  AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
  ☆60Updated 2 years ago
• CompRhys / roost
  Representation Learning from Stoichiometry
  ☆58Updated 2 years ago
• zincware / ZnDraw
  Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)
  ☆45Updated this week
• TRI-AMDD / materialnet
  Visualization for TRI materials network data
  ☆17Updated 2 years ago
• MLMI2-CSSI / foundry
  Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
  ☆81Updated 2 months ago
• sparks-baird / xtal2png
  Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.
  ☆37Updated last year
• sparks-baird / mat_discover
  A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
  ☆44Updated 11 months ago
• CitrineInformatics / python-citrination-client
  Reference implementation in python for Citrination api
  ☆14Updated 4 years ago
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆52Updated 2 years ago
• orionarcher / pymatgen-io-openmm
  A Pymatgen IO module for setting up OpenMM simulations.
  ☆11Updated last year
• pfnet-research / torch-dftd
  pytorch implementation of dftd2 & dftd3 (not actively maintained)
  ☆81Updated 8 months ago
• metatensor / metatrain
  Training and evaluating machine learning models for atomistic systems.
  ☆35Updated this week
• Open-Catalyst-Project / Open-Catalyst-Dataset
  Workflow for creating and analyzing the Open Catalyst Dataset
  ☆109Updated 5 months ago
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/foru…
  ☆60Updated 2 weeks ago
• muhrin / milad
  Moment Invariants Local Atomic Descriptor
  ☆32Updated 11 months ago
• semodi / neuralxc
  Implementation of a machine learned density functional
  ☆35Updated last year
• lan496 / torch-m3gnet
  PyTorch/PyG implementation of M3GNet
  ☆10Updated last year
• CompRhys / aviary
  The Wren sits on its Roost in the Aviary.
  ☆58Updated 3 weeks ago
• mturiansky / abcv
  A python-based crystal viewer built upon the fresnel and pymatgen libraries.
  ☆16Updated last year
• lan496 / jax-xtal
  An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)
  ☆10Updated 2 years ago
• MihailBogojeski / ml-dft
  A package for density functional approximation using machine learning.
  ☆26Updated 4 years ago
• lan496 / crystal-symmetry-primer
  Primer of crystal symmetry and space group
  ☆16Updated 2 years ago