Alternatives and similar repositories for BestPractices:

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

• sp8rks / MaterialsInformatics
  MSE5540/6640 Materials Informatics course at the University of Utah. Learn how data science tools are revolutionizing materials science!
  ☆139Updated last week
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆114Updated 2 years ago
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆170Updated 3 weeks ago
• Kaaiian / CBFV
  Tool to quickly create a composition-based feature vector
  ☆27Updated 3 years ago
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆112Updated last week
• materialsvirtuallab / matgenb
  Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
  ☆241Updated 8 months ago
• janosh / pymatviz
  A toolkit for visualizations in materials informatics.
  ☆199Updated this week
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆89Updated last year
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆112Updated 3 months ago
• njszym / XRD-AutoAnalyzer
  ☆89Updated 2 months ago
• materialsproject / atomate2
  atomate2 is a library of computational materials science workflows
  ☆202Updated this week
• ncfrey / resources
  A Highly Opinionated List of Open Source Materials Informatics Resources
  ☆129Updated 3 years ago
• WMD-group / SMACT
  Python package to aid materials design and informatics
  ☆105Updated last week
• CederGroupHub / chgnet
  Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
  ☆292Updated last week
• materialsvirtuallab / matgl
  Graph deep learning library for materials
  ☆325Updated this week
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆220Updated 2 weeks ago
• Tomoki-YAMASHITA / CrySPY
  CrySPY is a crystal structure prediction tool written in Python.
  ☆127Updated 10 months ago
• peteboyd / lammps_interface
  automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
  ☆144Updated last year
• materialsvirtuallab / maml
  Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
  ☆402Updated this week
• MaginnGroup / PyLAT
  ☆108Updated 2 years ago
• hackingmaterials / automatminer
  An automatic engine for predicting materials properties.
  ☆153Updated last year
• hjkgrp / molSimplify
  molSimplify code
  ☆183Updated this week
• materialsproject / matbench
  Matbench: Benchmarks for materials science property prediction
  ☆148Updated 7 months ago
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆89Updated last month
• MDIL-SNU / SevenNet
  SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
  ☆159Updated last week
• materialsproject / api
  New API client for the Materials Project
  ☆131Updated 3 weeks ago
• materialsvirtuallab / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆106Updated 3 years ago
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆142Updated last week
• usnistgov / alignn
  Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary
  ☆263Updated 2 months ago
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆145Updated 9 months ago