ClancyLab / NCM2018
☆18Updated 4 years ago
Alternatives and similar repositories for NCM2018:
Users that are interested in NCM2018 are comparing it to the libraries listed below
- ☆14Updated 2 years ago
- A deep learning Bayesian framework for attribute driven inverse materials design☆14Updated 5 years ago
- Gaussian process augmented with a probabilistic model of expected system's behavior☆15Updated 3 years ago
- scalable multi-fidelity machine learning☆9Updated 3 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆37Updated 3 years ago
- Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.☆40Updated last month
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆21Updated 2 years ago
- data and code to reduplicate paper: Topological representations of crystalline compounds for the machine-learning prediction of materials…☆19Updated 4 years ago
- Physics-Informed Neural Networks for Solving Multiscale Mode-Resolved Phonon Boltzmann Transport Equation☆20Updated 3 years ago
- Accelerated Design of Layered Materials with Bayesian Optimization☆18Updated 6 years ago
- Benchmarking☆28Updated 3 years ago
- ☆24Updated 4 years ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆40Updated last year
- Machine learning model for crystal lattice constant prediction☆14Updated 4 years ago
- Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks☆26Updated 5 years ago
- Code base for the graph neural network-based polygrain microstructure property prediction project☆42Updated 2 years ago
- This reaxFF LAMMPS script can be used to simulate the oxidation of nanomaterials, followed by cooling and thermal equilibration. Finally,…☆13Updated 2 years ago
- Generative deep learning model for inorganic materials☆18Updated 2 years ago
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆11Updated 5 years ago
- Source code for generating materials with 20 space groups using PGCGM☆32Updated 2 years ago
- a Python3 library for ML modeling materials properties☆11Updated 5 years ago
- MOOSE Application for simulation of electrodeposition in Li-ion batteries☆17Updated 3 years ago
- Querying databases, Organizing and Plotting Data: Query Pymatgen for properties like Young's modulus and melting temperature Organize dat…☆14Updated 3 years ago
- These are the slides associated with the GNN tutorial at the APS March Meeting☆21Updated 2 years ago
- Physics informed Bayesian network + autoencoder for matching process / variable / performance in solar cells.☆32Updated 3 years ago
- Efficient phase diagram construction based on uncertainty sampling☆14Updated 2 years ago
- Python Package for electrochemical analysis☆21Updated 6 months ago
- Unsupervised learning of structure in systems of interacting particles.☆13Updated last year
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆17Updated this week
- Polycrystal Graph Neural Network☆21Updated last year