Alternatives and similar repositories for materials-informatics-tutorial

Users that are interested in materials-informatics-tutorial are comparing it to the libraries listed below

• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆21Updated 4 years ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 years ago
• ml-evs / this-material-does-not-exist
  Vote on whether you think predicted crystal structures could be synthesised
  ☆18Updated last year
• BlauGroup / HiPRGen
  ☆26Updated 10 months ago
• rekumar / labgraph
  A graph database tool for experimental data in materials science and chemistry.
  ☆19Updated 8 months ago
• lcmd-epfl / volcanic
  A program to automatically generate volcano plots for catalysis.
  ☆15Updated 9 months 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…
  ☆14Updated 10 months ago
• lab-cosmo / atomistic-cookbook
  A collection of simulation recipes for the atomic-scale modeling of materials and molecules
  ☆29Updated 2 weeks ago
• molmd / mispr
  A software for automating materials science computations
  ☆31Updated 3 months ago
• AccelerationConsortium / ac-microcourses
  Microcourses hosted by the Acceleration Consortium for self-driving lab topics.
  ☆31Updated 2 weeks ago
• materials-data-facility / llm-resources
  ☆20Updated last year
• stfc / janus-core
  Tools for machine learnt interatomic potentials
  ☆37Updated last week
• ulissigroup / wherewulff
  WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions
  ☆32Updated last year
• lab-cosmo / kernel-tutorials
  A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling
  ☆23Updated last year
• JaGeo / Advanced_Jobflow_Tutorial
  This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …
  ☆17Updated 2 years ago
• cersonsky-lab / unsupervised-ml
  This git repository will serve as a companion to a forthcoming chapter in "Quantum Chemistry in the Age of Machine Learning"
  ☆14Updated last year
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• aimat-lab / ChemMatData
  An overview over chemical datasets and where to find them
  ☆17Updated 2 years ago
• materialsproject / foundation
  ☆17Updated 5 months ago
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆32Updated 10 months ago
• mir-group / CiderPress
  A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework
  ☆12Updated last month
• orionarcher / pymatgen-io-openmm
  A Pymatgen IO module for setting up OpenMM simulations.
  ☆11Updated last year
• lcmd-epfl / cell2mol
  ☆26Updated this week
• dftd4 / tad-dftd4
  PyTorch Autodiff DFT-D4 Implementation.
  ☆21Updated 2 weeks ago
• BlauGroup / mrnet
  Mr. Network is a python reaction-network for molecular systems
  ☆11Updated 3 years 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
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆31Updated last year
• stefanbringuier / ORB-LAMMPS-PATCH
  Adds Orb Model functionality to LAMMPS via Python wrapping
  ☆15Updated 5 months ago
• abhijeetgangan / a2c_ase
  An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.
  ☆11Updated 2 months ago
• metatensor / metatrain
  Training and evaluating machine learning models for atomistic systems.
  ☆43Updated last week