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GitHub topics: material-informatics

adosar/aidsorb

Python package for deep learning on molecular point clouds.

Language: Python - Size: 16.7 MB - Last synced at: 10 days ago - Pushed at: about 1 month ago - Stars: 2 - Forks: 1

lamalab-org/MatText

Text-based modeling of materials.

Language: Jupyter Notebook - Size: 13.1 MB - Last synced at: 9 days ago - Pushed at: 5 months ago - Stars: 31 - Forks: 2

lfoppiano/SuperMat

Superconductors material dataset

Language: Jupyter Notebook - Size: 20.2 MB - Last synced at: 11 days ago - Pushed at: over 1 year ago - Stars: 26 - Forks: 3

m-AI-celium/Myceilum_Growth_Dataset

Mycelium Growth and Structural Compression Datasets

Size: 64.4 MB - Last synced at: 9 months ago - Pushed at: 9 months ago - Stars: 0 - Forks: 1

hitarth64/TherML

closed loop materials discovery using error correction learning

Language: Python - Size: 147 MB - Last synced at: 20 days ago - Pushed at: almost 2 years ago - Stars: 2 - Forks: 0

seanwoory/Automation

Automate everything with python

Language: Python - Size: 55.7 KB - Last synced at: 3 months ago - Pushed at: about 1 year ago - Stars: 1 - Forks: 0

hachmannlab/chemhtps

ChemHTPS is an automated high-throughput screening platform for generating materials and chemical data

Language: Python - Size: 1.49 MB - Last synced at: over 1 year ago - Pushed at: over 4 years ago - Stars: 6 - Forks: 1

cpfpengfei/NIRII-ML-Design

Prediction model used in the paper: Accelerated Design of Near-Infrared-II Molecular Fluorophores via First-Principle Understanding and Machine Learning.

Language: Python - Size: 14.6 KB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 2 - Forks: 0

mahindrautela/MatChar_dualCNN

These codes are presented in "Inverse characterization of composites using guided waves and convolutional neural networks with dual-branch feature fusion"

Language: Jupyter Notebook - Size: 565 KB - Last synced at: almost 2 years ago - Pushed at: over 3 years ago - Stars: 3 - Forks: 0

ihalage/analogmat

Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.

Language: Python - Size: 36.1 MB - Last synced at: 10 months ago - Pushed at: about 2 years ago - Stars: 9 - Forks: 4

zyz293/GAN_Materials_Discovery

Microstructural Materials Design Via Deep Adversarial Learning Methodology

Language: Python - Size: 1.84 MB - Last synced at: about 2 years ago - Pushed at: about 5 years ago - Stars: 1 - Forks: 1

kiranvad/gpcv

Gaussian Processes for Cyclic Voltammetry

Language: MATLAB - Size: 11.8 MB - Last synced at: almost 2 years ago - Pushed at: over 4 years ago - Stars: 0 - Forks: 1

kiranvad/MLCD

Metric Learning for Combinatorial Datasets

Language: MATLAB - Size: 202 MB - Last synced at: almost 2 years ago - Pushed at: over 5 years ago - Stars: 0 - Forks: 1

Related Keywords
material-informatics 13 deep-learning 3 machine-learning 2 3d-deep-learning 1 high-throughput-computing 1 molecular-modelling 1 quantum-mechanics 1 nir-ii 1 virtual-screening 1 aerospace 1 cnn 1 deeplearning 1 feature-fusion-network 1 inverse-problems 1 materialdesign 1 structures 1 disorder 1 perovskites 1 unsupervised-learning 1 generative-adversarial-network 1 material-design 1 active-learning 1 bayesian-model-selection 1 cyclic-voltammetry 1 gaussian-processes 1 combinatorial-datasets 1 high-throughput-screening 1 metric-learning 1 mt-lmnn 1 3d-point-clouds 1 geometric-deep-learning 1 metal-organic-frameworks 1 point-clouds 1 pytorch 1 pytorch-lightning 1 bert 1 chemistry 1 llama 1 llm 1 materials-science 1 transformer 1 superconductors 1 tdm 1 text-mining 1 bio-materials 1 dataset 1 growth 1 mycelium 1 materials-discovery 1 thermoelectric 1 atomic-simula 1 cgcnn 1 fireworks 1 pymatgen 1