Alternatives and similar repositories for gemd-python

Users that are interested in gemd-python are comparing it to the libraries listed below

• rekumar / labgraph
  A graph database tool for experimental data in materials science and chemistry.
  ☆19Updated 7 months ago
• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆21Updated 4 years ago
• BAMresearch / WEBSLAMD
  Sequential Learning App for Materials Discovery ("SLAMD") - Web Version
  ☆21Updated 4 months ago
• aimat-lab / ChemMatData
  An overview over chemical datasets and where to find them
  ☆17Updated 2 years ago
• fenning-research-group / PASCAL
  Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.
  ☆17Updated last week
• 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 9 months ago
• lamalab-org / structuregraph-helpers
  Helpers for working with pymatgen structure graphs.
  ☆12Updated 6 months ago
• blaiszik / ml_publication_charts
  ☆43Updated 5 months ago
• ImperialCollegeLondon / webBO
  ☆11Updated 5 months ago
• EPiCs-group / chemspax
  A Python tool for local chemical space exploration of any structure based on their 3D geometry
  ☆13Updated 10 months ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 years ago
• materials-data-facility / llm-resources
  ☆20Updated last year
• njszym / ARROWS
  ☆19Updated last year
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• AccelerationConsortium / ac-microcourses
  Microcourses hosted by the Acceleration Consortium for self-driving lab topics.
  ☆31Updated last month
• MADICES / MADICES-2022
  This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.
  ☆13Updated 3 years ago
• RBCanty / MIT_AMD_Platform
  Public code base for the Accelerated Molecular Discovery (AMD) platform
  ☆12Updated last year
• CitrineInformatics / learn-citrination
  Training materials
  ☆22Updated 5 years ago
• materialsproject / foundation
  ☆17Updated 5 months ago
• AI-multimodal / Lightshow
  A one-stop-shop for handling data in computational spectroscopy
  ☆16Updated 2 weeks ago
• materials-data-facility / publishing-battery-data
  Illustrating how to publish battery data
  ☆13Updated 3 months ago
• BlauGroup / HiPRGen
  ☆26Updated 9 months ago
• dd-debug / synthesis_planning_algorithm
  A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.
  ☆19Updated last year
• orionarcher / pymatgen-io-openmm
  A Pymatgen IO module for setting up OpenMM simulations.
  ☆11Updated last year
• anhender / mse_ML_datasets
  ☆15Updated 3 years ago
• CederGroupHub / s4
  Solid-state synthesis science analyzer. Thermo, features, ML, and more.
  ☆25Updated 2 years ago
• blokhin / materials-informatics-tutorial
  A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data
  ☆16Updated 10 months ago
• CederGroupHub / alabos
  AlabOS: Managing the workflows in the Autonomous lab
  ☆44Updated 3 weeks ago
• usccolumbia / materialsUQ
  Uncertainty Quantification for Materials Property Prediction: a Benchmark Study
  ☆16Updated last year
• lrcfmd / ChemDASH
  Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
  ☆22Updated 2 years ago