Alternatives and similar repositories for BgoFace

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

• Jiaxuan-Ma / MLMD
  MLMD: a programming-free AI platform to predict and design materials
  ☆68Updated 3 months ago
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆41Updated 3 years ago
• yiming-xu / LAMMPS_Simulation
  Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
  ☆30Updated 6 years ago
• Matgenix / pysisso
  Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.
  ☆54Updated last year
• CMMAi / HEA_Mechanisms
  ☆19Updated 3 years ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆53Updated 6 months ago
• ziyuanrao11 / Machine-learning-enabled-high-entropy-alloy-discovery
  This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'
  ☆71Updated last year
• CitrineInformatics / MPEA_dataset
  Expanded dataset of mechanical properties and observed phases of multi-principal element alloys
  ☆35Updated 2 years ago
• dadams9 / GB-Dislocation-Interaction-LAMMPS
  Repository for the bicrystal simulations in LAMMPS used to study GB-Dislocation interaction in FCC and BCC metals
  ☆17Updated 8 years ago
• PaulsonLab / TorchSISSO
  ☆17Updated this week
• YuanbaoQiang / lammps-data-processing
  针对开源模拟软件Lammps导出的数据文件，个人采用Python脚本进行数据处理并科研绘图，并取得相关的论文成果。
  ☆48Updated 3 years ago
• dadaoqiuzhi / RMD_Digging
  RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…
  ☆40Updated last month
• by-student-2017 / lammps_education_reaxff_win
  ☆37Updated 3 months ago
• gmp007 / elastool
  A toolkit for automatic calculation and analysis of elastic constants
  ☆13Updated 11 months ago
• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆69Updated 5 months ago
• CMMRLab / LUNAR
  ☆39Updated 2 weeks ago
• Shiliang2333 / PotentialForHEA
  收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.
  ☆24Updated last month
• shahramyalameha / ElATools
  ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials
  ☆47Updated 11 months ago
• caneparesearch / kMCpy
  ☆23Updated last week
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆37Updated 3 years ago
• nguyen-group / GNNOpt
  Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
  ☆28Updated 5 months ago
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆47Updated 6 years ago
• tongzhugroup / mddatasetbuilder
  A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
  ☆40Updated this week
• stanfordbshan / CompMatBook
  Computational Materials Science(Book)
  ☆93Updated 5 months ago
• Roy-Kid / extending-lammps-zh
  我盗版我自己
  ☆70Updated 2 years ago
• openiec / openiec
  OpenIEC: An open-source code for interfacial energy calculation in alloys
  ☆36Updated last year
• nuwan-d / graphene_tensile_test
  LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample
  ☆32Updated 4 years ago
• lanl / Phase-Field-Dislocation-Dynamics-PFDD
  Phase field model for material science applications.
  ☆24Updated 6 years ago
• simongravelle / python-for-lammps
  Python scripts for dealing with molecular dynamics script for LAMMPS
  ☆17Updated 2 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆57Updated 7 months ago