Alternatives and similar repositories for materialsUQ:

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

• BingqingCheng / Mapping-the-space-of-materials-and-molecules
  ☆10Updated 4 years ago
• materials-data-facility / llm-hackathon
  ☆9Updated 9 months ago
• RBCanty / MIT_AMD_Platform
  Public code base for the Accelerated Molecular Discovery (AMD) platform
  ☆10Updated last year
• TUM-DAML / gemnet_tf
  GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
  ☆25Updated last year
• aryandeshwal / BO_of_COFs
  Python code for the paper Bayesian Optimization of Nanoporous Materials.
  ☆21Updated last year
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆13Updated 2 months ago
• AC-BO-Hackathon / ac-bo-hackathon.github.io
  ☆10Updated this week
• espottesmith / MPcat
  An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…
  ☆12Updated 9 months ago
• blondegeek / e3nn_symm_breaking
  Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"
  ☆13Updated 4 years ago
• zhenpengyao / Supramolecular_VAE
  ☆31Updated 4 years ago
• lantunes / skipatom
  Distributed representations of atoms, inspired by the Skip-gram model
  ☆25Updated last year
• EPiCs-group / chemspax
  A Python tool for local chemical space exploration of any structure based on their 3D geometry
  ☆13Updated 3 months ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆25Updated 2 years ago
• tcnicholas / chic
  Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…
  ☆12Updated 2 months ago
• Fung-Lab / StructRepGen
  Atomic Structure Generation from Reconstructing Structural Fingerprints
  ☆14Updated 2 years ago
• BlauGroup / HiPRGen
  ☆21Updated 2 months ago
• ibayashi-hikaru / allegro-legato
  Robust NN MD simulator
  ☆19Updated last year
• ASK-Berkeley / StABlE-Training
  A repo to finetune NNIPs by training on observables
  ☆13Updated 9 months ago
• aimat-lab / ChemMatData
  An overview over chemical datasets and where to find them
  ☆17Updated last year
• RodrigoAVargasHdz / huxel_molecule_desing
  Hückel model + JAX
  ☆12Updated 2 years ago
• originofmatter / MatGAN
  Generative deep learning model for inorganic materials
  ☆18Updated last year
• kjappelbaum / moffragmentor
  Split a MOF into its building blocks.
  ☆21Updated 2 years ago
• aspuru-guzik-group / golem
  Golem: an algorithm for robust experiment and process optimization
  ☆16Updated 3 years ago
• dftd4 / tad-dftd4
  PyTorch Autodiff DFT-D4 Implementation.
  ☆17Updated this week
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆34Updated 2 years ago
• ihalage / analogmat
  Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.
  ☆10Updated last year
• molmd / mispr
  A software for automating materials science computations
  ☆30Updated 6 months ago
• PV-Lab / ZoMBI
  Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…
  ☆16Updated 11 months ago
• lcmd-epfl / volcanic
  A program to automatically generate volcano plots for catalysis.
  ☆12Updated last month
• RodrigoAVargasHdz / huxel
  Huxel: Huckel model + JAX (parameter optimization)
  ☆10Updated 2 years ago