piyushtagade / SLAMDUNCSLinks
A deep learning Bayesian framework for attribute driven inverse materials design
☆15Updated 5 years ago
Alternatives and similar repositories for SLAMDUNCS
Users that are interested in SLAMDUNCS are comparing it to the libraries listed below
Sorting:
- A General Framework Combining Generative Adversarial Networks and Mixture Density Networks for Inverse Modeling in Microstructural Materi…☆11Updated 2 years ago
- ☆19Updated 5 years ago
- Predicting spectral emissivity of particles from a given material and geometry using decision trees and random forest.☆10Updated 4 years ago
- A molecular dynamics tutorial for new researchers in the area of nanomechanics.☆15Updated 3 years ago
- ☆14Updated 6 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆38Updated 4 years ago
- Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.☆41Updated 9 months ago
- Thermodynamically Explainable Representations of AI and other black-box Paradigms☆33Updated last year
- A dissipative particle dynamics (DPD) project.☆11Updated 2 years ago
- Molecular Dynamic Graph Neural Network☆20Updated 4 years ago
- All the codes and data used in "Inverse design of soft materials via a deep-learning-based evolutionary strategy", by G. M. Coli, E. Boat…☆11Updated 4 years ago
- a universal machine learning model for predicting properties of Chemical Compounds☆11Updated 6 years ago
- ☆14Updated 3 years ago
- Code base for the graph neural network-based polygrain microstructure property prediction project☆49Updated 3 years ago
- Querying databases, Organizing and Plotting Data: Query Pymatgen for properties like Young's modulus and melting temperature Organize dat…☆14Updated 4 years ago
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Updated 2 years ago
- The Density Functional Theory for Electrolyte Solutions☆10Updated 3 years ago
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆15Updated 6 years ago
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Updated 5 years ago
- Deep Learning And Applied Artificial Intelligence Project 2019/2020 - Molecular Synthesis & Reconstruction☆13Updated 4 years ago
- ☆16Updated 5 years ago
- Codes for translating structural defects to atomic properties☆14Updated 3 years ago
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆45Updated last month
- ☆12Updated 7 years ago
- Inorganic Reaction Prediction☆11Updated last year
- Inverse materials design via invertible neural networks☆65Updated 2 years ago
- Chemical kinetics with tensorflow. Use tensorflow deep learning platform to numerically calculate chemical rate equations for chemical ki…☆14Updated 4 years ago
- Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).☆11Updated 4 years ago
- Physics Informed Neural Networks (PINNs) code to solve the 3D Poisson-Boltzmann equation.☆12Updated 9 months ago
- Jupyter notebooks describing data analysis procedures for my published/submitted papers☆14Updated 4 years ago