Alternatives and similar repositories for Discover_MG_CoVZr:

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

• zincware / ZnDraw
  Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)
  ☆38Updated this week
• originofmatter / MatGAN
  Generative deep learning model for inorganic materials
  ☆18Updated last year
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆25Updated 2 years ago
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine-learned interatomic potentials (MLIPs), beyond basic error metrics
  ☆56Updated this week
• CCQC / Quax
  Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
  ☆62Updated 5 months ago
• sparks-baird / mat_discover
  A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
  ☆39Updated 5 months ago
• libAtoms / workflow
  python workflow toolkit
  ☆37Updated last week
• anhender / mse_ML_datasets
  ☆15Updated 3 years ago
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆33Updated 3 months ago
• CJBartel / TestStabilityML
  ☆27Updated last year
• orionarcher / pymatgen-io-openmm
  A Pymatgen IO module for setting up OpenMM simulations.
  ☆11Updated 10 months ago
• lantunes / skipatom
  Distributed representations of atoms, inspired by the Skip-gram model
  ☆25Updated last year
• BlauGroup / HiPRGen
  ☆21Updated 2 months ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆36Updated last week
• materialsproject / pyrho
  ☆39Updated this week
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated 7 months ago
• ulissigroup / amptorch
  AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
  ☆60Updated last year
• lan496 / jax-xtal
  An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)
  ☆10Updated 2 years ago
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆35Updated 2 years ago
• amirhajibabaei / AutoForce
  Sparse Gaussian Process Potentials
  ☆27Updated 6 months ago
• zhubonan / airsspy
  Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)
  ☆16Updated 8 months 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
• CompRhys / roost
  Representation Learning from Stoichiometry
  ☆55Updated 2 years ago
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆43Updated 4 months ago
• CompRhys / aviary
  The Wren sits on its Roost in the Aviary.
  ☆50Updated this week
• jaapkroe / polypy
  polygon (ring network) discovery from XYZ files
  ☆10Updated 8 years ago
• mariogeiger / nequip-jax
  ☆22Updated last year
• pfnet-research / torch-dftd
  pytorch implementation of dftd2 & dftd3 (not actively maintained)
  ☆71Updated 2 months ago
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆52Updated last year
• CJBartel / compmatscipy
  ☆12Updated 2 years ago