Alternatives and similar repositories for MADAP

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

• TRI-AMDD / CAMD
  Agent-based sequential learning software for materials discovery
  ☆63Updated last year
• dd-debug / synthesis_planning_algorithm
  A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.
  ☆18Updated last year
• BIG-MAP / BattINFO
  A Battery Interface Ontology based on EMMO
  ☆45Updated 10 months ago
• AI-multimodal / Lightshow
  A one-stop-shop for handling data in computational spectroscopy
  ☆16Updated this week
• paolodeangelis / SEI_builder
  This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…
  ☆11Updated this week
• BIG-MAP / big-map-registry
  Registry for BIG-MAP apps and codes. Find the apps
  ☆10Updated this week
• materialsproject / pyrho
  ☆40Updated last week
• orionarcher / pymatgen-io-openmm
  A Pymatgen IO module for setting up OpenMM simulations.
  ☆11Updated last year
• materials-data-facility / publishing-battery-data
  Illustrating how to publish battery data
  ☆13Updated 4 months ago
• fsk-lab / botier
  Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs
  ☆12Updated 3 weeks ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 years ago
• ttadano / ALM
  ☆21Updated last year
• hackingmaterials / materials-coord
  MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms
  ☆19Updated 2 years ago
• usnistgov / intermat
  Project to setup and analyze interface calculations using density functional theory.
  ☆22Updated 3 weeks 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 …
  ☆15Updated last month
• 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 2 years ago
• deepmaterials / slmat
  SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27
  ☆20Updated 4 months ago
• fenning-research-group / PASCAL
  Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.
  ☆18Updated 3 weeks ago
• CederGroupHub / alabos
  AlabOS: Managing the workflows in the Autonomous lab
  ☆46Updated 2 months ago
• simongravelle / GOMC-inputs
  Input script for Monte Carlo (GCMC) simulations
  ☆19Updated last year
• materialsvirtuallab / nano281
  Data Science for Materials Science
  ☆65Updated this week
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 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…
  ☆14Updated 10 months ago
• materialsproject / foundation
  ☆17Updated 6 months ago
• ML-Materials-Standards / ml-materials-checklist
  ☆34Updated 11 months ago
• CJBartel / TestStabilityML
  ☆26Updated last year
• pyscal / pyscal3
  More efficient and faster version of pyscal
  ☆22Updated 4 months ago
• mturiansky / abcv
  A python-based crystal viewer built upon the fresnel and pymatgen libraries.
  ☆16Updated last year
• CJBartel / predict-gibbs-energies
  ☆21Updated 5 years ago
• materials-data-facility / llm-resources
  ☆20Updated last year