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 9 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
• aimat-lab / ChemMatData
  An overview over chemical datasets and where to find them
  ☆17Updated 2 years ago
• BAMresearch / WEBSLAMD
  Sequential Learning App for Materials Discovery ("SLAMD") - Web Version
  ☆21Updated 6 months ago
• EPiCs-group / chemspax
  A Python tool for local chemical space exploration of any structure based on their 3D geometry
  ☆13Updated last year
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 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…
  ☆14Updated 11 months ago
• ImperialCollegeLondon / webBO
  ☆11Updated last month
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• BlauGroup / HiPRGen
  ☆26Updated 11 months ago
• fenning-research-group / PASCAL
  Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.
  ☆19Updated 2 weeks ago
• njszym / ARROWS
  ☆21Updated last year
• RBCanty / MIT_AMD_Platform
  Public code base for the Accelerated Molecular Discovery (AMD) platform
  ☆11Updated last year
• MADICES / MADICES-2022
  This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.
  ☆13Updated 3 years ago
• materials-data-facility / llm-resources
  ☆20Updated last year
• kaueltzen / LLM_Hackathon_2024
  This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …
  ☆12Updated last year
• lamalab-org / structuregraph-helpers
  Helpers for working with pymatgen structure graphs.
  ☆12Updated 8 months ago
• AccelerationConsortium / ac-microcourses
  Microcourses hosted by the Acceleration Consortium for self-driving lab topics.
  ☆32Updated last week
• materialsproject / foundation
  ☆17Updated 7 months ago
• CitrineInformatics / learn-citrination
  Training materials
  ☆22Updated 5 years ago
• lrcfmd / ChemDASH
  Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
  ☆22Updated 2 years ago
• CederGroupHub / SynthesisSimilarity
  ☆31Updated last year
• ml-evs / this-material-does-not-exist
  Vote on whether you think predicted crystal structures could be synthesised
  ☆18Updated last year
• blaiszik / ml_publication_charts
  ☆43Updated 7 months ago
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆36Updated 7 months ago
• jacksund / simmate
  Simmate is a full-stack framework for chemistry research.
  ☆36Updated last week
• aspuru-guzik-group / atlas
  A brain for self-driving laboratories
  ☆43Updated 5 months ago
• materialsproject / pymatgen-analysis-alloys
  pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …
  ☆16Updated 2 months ago
• lcmd-epfl / volcanic
  A program to automatically generate volcano plots for catalysis.
  ☆15Updated 10 months ago
• mturiansky / abcv
  A python-based crystal viewer built upon the fresnel and pymatgen libraries.
  ☆16Updated last year