Alternatives and similar repositories for maggma

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

• materialsproject / emmet
  Be a master builder of databases of material properties. Avoid the Kragle.
  ☆60Updated this week
• openkim / kliff
  KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
  ☆38Updated 2 weeks ago
• spglib / moyo
  Library for Crystal Symmetry in Rust
  ☆52Updated this week
• ulissigroup / wherewulff
  WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions
  ☆32Updated last year
• BlauGroup / HiPRGen
  ☆25Updated 8 months ago
• Andrew-S-Rosen / xtb_ase
  A fully featured ASE calculator for xTB
  ☆21Updated 8 months ago
• basf / mlipx
  Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…
  ☆89Updated 2 weeks ago
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆104Updated last week
• libAtoms / workflow
  python workflow toolkit
  ☆40Updated this week
• stfc / janus-core
  Tools for machine learnt interatomic potentials
  ☆33Updated last week
• aiidateam / aiida-common-workflows
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins
  ☆54Updated 8 months ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆46Updated 3 weeks ago
• muhrin / milad
  Moment Invariants Local Atomic Descriptor
  ☆32Updated 10 months ago
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆52Updated 2 years ago
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆48Updated 10 months ago
• Liu-group / AutoSolvate
  Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
  ☆52Updated 2 months ago
• faccts / opi
  ORCA Python Interface
  ☆63Updated last week
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆24Updated 2 years ago
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆69Updated this week
• greglandrum / yaehmop
  Yet Another extended Hueckel Molecular Orbital Package
  ☆26Updated 3 months ago
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/foru…
  ☆58Updated last week
• globus-labs / mof-generation-at-scale
  Create new MOFs by combining generative AI and simulation on HPC
  ☆25Updated last month
• tcnicholas / chic
  Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…
  ☆13Updated 7 months ago
• zincware / ZnDraw
  Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)
  ☆44Updated this week
• orionarcher / pymatgen-io-openmm
  A Pymatgen IO module for setting up OpenMM simulations.
  ☆11Updated last year
• CederGroupHub / s4
  Solid-state synthesis science analyzer. Thermo, features, ML, and more.
  ☆24Updated 2 years ago
• tobacco-mofs / tobacco_1.0
  ☆17Updated 8 years ago
• jla-gardner / load-atoms
  ⚛ download and manipulate atomistic datasets
  ☆46Updated 7 months ago
• materialsproject / pyrho
  ☆40Updated 2 weeks ago