Alternatives and similar repositories for pymatgen_tutorials

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

• aronwalsh / MLforMaterials
  Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)
  ☆94Updated 3 weeks ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆110Updated this week
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆100Updated 3 weeks ago
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆44Updated last week
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆44Updated 8 months ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆40Updated last week
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆82Updated 3 weeks ago
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆112Updated last week
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆55Updated last month
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆28Updated 5 months ago
• AegisIK / DistMLIP
  DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation
  ☆70Updated last month
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆66Updated 2 months ago
• libAtoms / GAP
  ☆43Updated 4 months ago
• enze-chen / grip
  Grand canonical optimization of grain boundary phases.
  ☆26Updated 3 months ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆56Updated last week
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆30Updated last month
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆47Updated 2 months ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆35Updated 5 months ago
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆54Updated last week
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆31Updated last year
• lalaheihaihei / catalyticLAM
  Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
  ☆37Updated 2 months ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆39Updated 6 months ago
• atomisticnet / MLP-beginners-guide
  Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)
  ☆28Updated 4 years ago
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆82Updated last week
• Materials-Consortia / optimade-tutorial-exercises
  Tutorial exercises for the OPTIMADE API
  ☆16Updated last year
• dogusariturk / PhaseForge
  PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…
  ☆45Updated last month
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆35Updated last year
• lsmo-epfl / aiida-raspa
  The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net
  ☆11Updated last year
• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆29Updated 4 months ago