Alternatives and similar repositories for MLMD

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

• Matgenix / pysisso
  Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.
  ☆54Updated last year
• CitrineInformatics / MPEA_dataset
  Expanded dataset of mechanical properties and observed phases of multi-principal element alloys
  ☆35Updated 2 years ago
• Bgolearn / BgoFace
  A Bayesian global optimization package for material design ｜ Adaptive Learning | Active Learning | 【BgoFace软件分享】BiliBili link
  ☆15Updated last month
• kmcos / kmcos
  Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
  ☆22Updated this week
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆53Updated 6 months ago
• Diego-2504 / CGCNN_tutorial
  Crystal Graph Convolutional Neural Networks tutorial
  ☆27Updated 2 years ago
• atomly-materials-research-lab / GPTFF
  GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner
  ☆55Updated 3 months ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆121Updated last week
• tongzhugroup / mddatasetbuilder
  A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
  ☆40Updated this week
• ziyuanrao11 / Machine-learning-enabled-high-entropy-alloy-discovery
  This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'
  ☆72Updated last year
• Wang-Group / Machine-learning-for-Cu-CO2RR
  This is the Python code and original data of "Machine-Learning Guided Discovery and Optimization of Additives in Preparing Cu Catalyst fo…
  ☆7Updated 2 years ago
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆41Updated 2 years ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆60Updated 6 years ago
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆46Updated 6 years ago
• chuanqixu / SISSOkit
  Modules for cross validation, evaluation and plot of SISSO
  ☆15Updated 5 years ago
• tobacco-mofs / tobacco_3.0
  ☆54Updated 4 years ago
• nguyen-group / GNNOpt
  Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
  ☆30Updated 6 months ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆68Updated last year
• YueyuZhang / IM2ODE
  Inverse Design of Materials by Multi-objective Differential Evolution
  ☆47Updated 5 years ago
• deepmaterials / dlmatreview
  Repository for links to software packages and databases used in deep-learning applications for materials science
  ☆142Updated last month
• vxfung / DOSnet
  ☆16Updated 3 years ago
• by-student-2017 / lammps_education_reaxff_win
  ☆38Updated 4 months ago
• njszym / XRD-AutoAnalyzer
  ☆93Updated 5 months ago
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆90Updated last year
• Kaaiian / Houston_ML_in_MSE_workshop
  Code to help you get started using machine learning in materials science
  ☆17Updated 6 years ago
• vxfung / MatDeepLearn_DOS
  MatDeepLearn for DOS prediction
  ☆24Updated 2 years ago
• uw-cmg / perovskite-oxide-stability-prediction
  code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite comp…
  ☆27Updated 7 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆57Updated 7 months ago
• MGEdata / SuperalloyDigger
  The functions of superalloyDigger toolkit include batch downloading documents in XML and TXT format from the Elsevier database, locating …
  ☆58Updated this week
• chenggroup / new-comer-tutorial
  新生入学培训资料
  ☆19Updated 2 years ago