oconradh / benchmark_aflowLinks
Benchmark AFLOW Data Sets for Machine Learning doi.org/10.1007/s40192-020-00174-4
☆11Updated 5 years ago
Alternatives and similar repositories for benchmark_aflow
Users that are interested in benchmark_aflow are comparing it to the libraries listed below
Sorting:
- Materials Design by Monte Carlo Tree Search☆35Updated 4 years ago
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆15Updated 7 years ago
- ☆14Updated 3 years ago
- Accelerated Design of Layered Materials with Bayesian Optimization☆20Updated 7 years ago
- ☆35Updated 4 months ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆39Updated 6 years ago
- Code for performing adversarial attacks on atomistic systems using NN potentials☆40Updated 3 years ago
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆22Updated 2 years ago
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆21Updated 3 years ago
- image-based generative model for inverse design of solid state materials☆42Updated 3 years ago
- Atom2Vec: a simple way to describe atoms for machine learning☆37Updated last year
- Quantum mechanical descriptor generation☆55Updated 5 years ago
- "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…☆36Updated 6 years ago
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Updated 2 years ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆85Updated 4 years ago
- Keras layers for end-to-end learning with rdkit and pymatgen