maml
Materials simulator
A toolkit for machine learning in materials science, enabling the development of predictive models and simulations.
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
369 stars
21 watching
80 forks
Language: Jupyter Notebook
last commit: 7 days ago
Linked from 1 awesome list
deep-learningmachine-learningmachine-learning-force-fieldmaterials-discoverymaterials-sciencespectroscopy
Related projects:
Repository | Description | Stars |
---|---|---|
materialsproject/matbench | Provides tools and resources for testing machine learning performance on materials science data | 122 |
jax-md/jax-md | A library for simulating complex material behavior using automatic differentiation and hardware acceleration. | 1,185 |
usnistgov/jarvis | An open-source software package for data-driven materials design using atomistic simulations and machine learning techniques. | 311 |
materialsintelligence/mat2vec | Unsupervised word embeddings capture latent knowledge from materials science literature | 619 |
jonhiller/voxelyze | A library for simulating the behavior of 3D objects made up of multiple materials under various loads. | 74 |
hackingmaterials/matminer | A toolkit for extracting insights from materials science data using machine learning and data mining techniques. | 484 |
anthony-wang/crabnet | A deep learning framework for predicting material properties from composition information. | 92 |
janosh/pymatviz | A toolkit for creating visualizations and analyzing data in materials science | 173 |
materialsproject/emmet | A framework for building and managing material properties databases | 55 |
choderalab/openmmtools | A toolkit providing tools and methods for simulating molecular systems using the OpenMM engine | 251 |
ppdebreuck/modnet | A Python package implementing a machine learning framework for predicting material properties from composition or crystal structure data. | 80 |
uw-cmg/mast-ml | An open-source toolkit designed to accelerate data-driven materials research by integrating machine learning and simulation techniques. | 105 |
upb-lea/fem_magnetics_toolbox | A toolbox for simulating and analyzing power electronic magnetic components using finite element methods. | 66 |
mrchemsoft/mrchem | A numerical real-space code for molecular electronic structure calculations. | 30 |
pierremifasol/lithography-simulation | Lithography simulation insights and methods using Jupyter Notebooks. | 94 |