☆19Oct 27, 2020Updated 5 years ago
Alternatives and similar repositories for NCM2018
Users that are interested in NCM2018 are comparing it to the libraries listed below
Sorting:
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- GPareto cran package☆18Feb 8, 2026Updated last month
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 2 years ago
- Generative deep learning model for inorganic materials☆20Mar 24, 2023Updated 2 years ago
- Composition-Conditioned Crystal GAN pytorch code☆42Feb 28, 2022Updated 4 years ago
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆72Oct 29, 2025Updated 4 months ago
- Code examples for https://blog.floydhub.com/guide-to-hyperparameters-search-for-deep-learning-models/☆11May 13, 2019Updated 6 years ago
- Diffusion Models Tutorials☆15Apr 10, 2023Updated 2 years ago
- BoundLess Objective-free eXploration (BLOX) for discovery of out-of-trend materials☆25May 28, 2020Updated 5 years ago
- Benchmark for learning stiff problems using physics-informed machine learning☆12Dec 15, 2021Updated 4 years ago
- Graph-Based Force Fields Model to parameterize Force Fields by Graph Attention Networks☆10Apr 9, 2024Updated last year
- Multithreaded matrix operations on N-D arrays (a Matlab plug-in)☆14Jun 22, 2018Updated 7 years ago
- Cost-aware Bayesian optimization via the Pandora's box Gittins index☆14Aug 8, 2025Updated 7 months ago
- ☆22Mar 14, 2026Updated last week
- Training materials☆22Dec 3, 2019Updated 6 years ago
- Use Gaussian processes to estimate CNN classification uncertainty☆12Mar 3, 2018Updated 8 years ago
- 3D molecular fingerprints (E3FP) paper repo☆14Mar 14, 2021Updated 5 years ago
- Public release of data and code for materials synthesis generation☆75Aug 11, 2022Updated 3 years ago
- Data-driven Identification of 2D Partial Differential Equations using Extracted Physical Features☆12Apr 23, 2021Updated 4 years ago
- PyData San Luis 2017 Tutorial: An Introduction to Gaussian Processes in PyMC3☆15Nov 16, 2017Updated 8 years ago
- Topoly Python test package☆10Sep 8, 2025Updated 6 months ago
- 秀xx动 js逆向分析 爬取发包☆15Nov 13, 2023Updated 2 years ago
- The MATLAB code below implements the second-order SPSA (simultaneous perturbation stochastic approximation) and second-order SG (stochast…☆13Nov 27, 2020Updated 5 years ago
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 2 years ago
- Tree Search Molecular Dynamics Simulation☆11Aug 25, 2019Updated 6 years ago
- Code for the paper "Deep learning of thermodynamics-aware reduced-order models from data" published in Computer Methods in Applied Mechan…☆14Aug 18, 2023Updated 2 years ago
- Efficient SDE samplers including Gaussian-based probabilistic solvers. Written in JAX.☆10Feb 8, 2025Updated last year
- ☆14Jun 25, 2021Updated 4 years ago
- Style Transfer by Deep Learning, overview and TensorFlow implementations (UNDER CONSTRUCTION)☆14Jul 25, 2017Updated 8 years ago
- ☆15Jul 6, 2023Updated 2 years ago
- 🎓Materials for the Hands-On Introduction to OpenFAIR Risk Analysis with Tidyrisk☆14Jan 22, 2021Updated 5 years ago
- Forge is the Python package to access data in the Materials Data Facility☆31Aug 1, 2022Updated 3 years ago
- PINNs-Demo☆13Jun 2, 2022Updated 3 years ago
- A repository for text_processing tools used by crow☆12Mar 21, 2025Updated 11 months ago
- Plane Wave Density Functional Theory Code for the GPU☆12Jan 23, 2015Updated 11 years ago
- ☆12Aug 28, 2022Updated 3 years ago
- Atom2Vec: a simple way to describe atoms for machine learning☆37Feb 23, 2024Updated 2 years ago
- Housing a tutorial for Bayesian Optimization using scikit-optimize Gaussian processes, gradient boosting.☆11Apr 11, 2019Updated 6 years ago
- The realisations and examples of algorithms from FEDOT framework☆12May 27, 2021Updated 4 years ago