Alternatives and similar repositories for atomic2field

Users that are interested in atomic2field are comparing it to the libraries listed below

• vishalsubbiah / Grain-Boundary-Energies-LAMMPS
  ☆11Updated 9 years ago
• nuwan-d / MD_model_JAM-21-1174
  Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).
  ☆11Updated 4 years ago
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆38Updated 4 years ago
• DuaneDJohnson / Hybrid-Cuckoo-Search
  Hybrid CS for ultrafast global optimization in materials science and other diverse fields. And, Hybrid CS SCRAPs is a Multinary Solid-S…
  ☆12Updated 2 years ago
• openkim / kliff
  KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
  ☆40Updated last week
• janosh / thermo
  Data-driven risk-conscious thermoelectric materials discovery
  ☆17Updated last month
• optados-developers / optados
  Official Repository of the Optados code
  ☆24Updated last month
• VlachosGroup / Multiscale-KMC
  Kinetic Monte Carlo with multiple time scales and sensitivity analysis
  ☆28Updated 3 years ago
• aryandeshwal / BO_of_COFs
  Python code for the paper Bayesian Optimization of Nanoporous Materials.
  ☆22Updated 2 years ago
• rajak7 / Bayesian_Optimization_Material_design
  Accelerated Design of Layered Materials with Bayesian Optimization
  ☆20Updated 7 years ago
• materialyzeai / nano266
  Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials
  ☆22Updated last year
• originofmatter / MatGAN
  Generative deep learning model for inorganic materials
  ☆19Updated 2 years ago
• lingtikong / phana
  ☆27Updated last year
• mir-group / pair_nequip
  Deprecated - see `pair_nequip_allegro`
  ☆44Updated 8 months ago
• learningmatter-mit / surface-sampling
  MCMC-based algorithm for sampling surface reconstructions
  ☆38Updated 3 months ago
• adguerra / LAMMPSStructures
  Creating elastic structures using LAMMPS
  ☆12Updated 2 years ago
• espottesmith / MPcat
  An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…
  ☆13Updated last year
• e3nn / e3nn-tutorial-mrs-fall-2021
  e3nn tutorial for Materials Research Society Fall Meeting 2021
  ☆14Updated 4 years ago
• PabloPiaggi / Crystallization-of-IceIh
  Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…
  ☆10Updated 4 years ago
• HidekiMori-CIT / aenet-lammps
  This package provides the interface module between aenet [1] and LAMMPS [2], patch of aenet for the LAMMPS library, and Artificial Neural…
  ☆22Updated 2 years ago
• angeloziletti / ai4materials
  Deep learning for crystal-structure recognition and analysis of atomic structures
  ☆42Updated last year
• USCCACS / QXMD
  QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine
  ☆14Updated last year
• hlyang1992 / das
  Dual Adaptive Sampling for Machine Learning Interatomic potential.
  ☆10Updated 4 years ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆64Updated last year
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆59Updated 5 months ago
• pyiron / pyiron_meltingpoint
  A fully automated approach to determine the melting temperature of crystalline materials
  ☆20Updated last year
• materialyzeai / nano281
  Data Science for Materials Science
  ☆66Updated this week
• gmp007 / 2D_Elastic-Properties
  First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures
  ☆16Updated last year
• DefAP / defap
  DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …
  ☆22Updated 8 months ago
• schnarc / SchNarc
  ☆26Updated 3 years ago