Kedar-Materials-by-Design-Lab / Constrained-Multi-Objective-Optimization-for-Materials-DiscoveryView on GitHub
☆12Jan 16, 2024Updated 2 years ago
Alternatives and similar repositories for Constrained-Multi-Objective-Optimization-for-Materials-Discovery
Users that are interested in Constrained-Multi-Objective-Optimization-for-Materials-Discovery are comparing it to the libraries listed below
Sorting:
- Surrogate Model Dacefit☆12Mar 27, 2019Updated 6 years ago
- Code for the NeurIPS 2020 paper: "Federated Bayesian Optimization via Thompson Sampling"☆26Nov 6, 2020Updated 5 years ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated last year
- 思源文档导航插件 A siyuan-note plugin that shows document navigation under the title.☆17Feb 5, 2026Updated last month
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Dec 8, 2020Updated 5 years ago
- Common NLP (text mining) tools for materials science and chemistry, for groups at Lawrence Berkeley National Lab (LBNL) and beyond.☆22Jul 8, 2022Updated 3 years ago
- A toolkit for querying data in OQMD.☆22Jan 2, 2022Updated 4 years ago
- Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml…☆51Dec 8, 2022Updated 3 years ago
- Benchmarking☆31Nov 18, 2021Updated 4 years ago
- Bayesian Optimization Excutable and Visualizable Application☆10Aug 14, 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
- Cost-aware Bayesian optimization via the Pandora's box Gittins index☆14Aug 8, 2025Updated 6 months ago
- PyTorch implementation of: D. Shenaj, M. Toldo, A. Rigon and P. Zanuttigh, “Asynchronous Federated Continual Learning”, CVPR 2023 Worksho…☆43Jul 15, 2023Updated 2 years ago
- Python wrapper to the DIRECT global optimization algorithm with scipy.optimize compatible call syntax☆30Aug 4, 2022Updated 3 years ago
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆39Oct 4, 2023Updated 2 years ago
- Mathematical Modeling Toolbox with R☆18Dec 5, 2025Updated 3 months ago
- Track Federated Learning Papers☆38Feb 27, 2026Updated last week
- Simple Vector math library☆11Mar 18, 2017Updated 8 years ago
- Making life easier using scripting languages (Bash and Python) to facilitate multiple VASP simulation jobs preparation, submission and an…☆13Dec 15, 2014Updated 11 years ago
- 考虑不确定性的短期电能负荷预测 ,附录☆11May 22, 2020Updated 5 years ago
- RunAI&KG prize winner of the 2024 LLM hackathon in materials and chemistry. Create a glossary out of your manuscript in materials and che…☆12Aug 15, 2025Updated 6 months ago
- Automated Transition States Builder☆11Jun 1, 2023Updated 2 years ago
- A collection of python and bash scripts for various bioinformatics-related tasks☆12Sep 19, 2024Updated last year
- This repository performs radiative heat transfer calculations in a user defined enclosure with a participating medium by using Monte Carl…☆10Feb 21, 2026Updated last week
- ☆10Nov 5, 2022Updated 3 years ago
- ☆12Aug 8, 2021Updated 4 years ago
- ☆11Aug 29, 2022Updated 3 years ago
- Sivells' Contur Method of Characteristics nozzle design code☆13Apr 23, 2022Updated 3 years ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆46Aug 20, 2024Updated last year
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆101Jan 13, 2026Updated last month
- ☆15Feb 28, 2023Updated 3 years ago
- RDKit integration to SQLAlchemy☆10Oct 6, 2020Updated 5 years ago
- Some useful VMD scrpits☆10May 24, 2016Updated 9 years ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 3 years ago
- ⨝ Mandatory Access Control for SQLite databases☆14Oct 11, 2016Updated 9 years ago
- See http://dx.doi.org/10.1039/C7SC04156J for more details☆11Aug 28, 2023Updated 2 years ago
- A federated data-driven evolutionary algorithm☆13Dec 29, 2022Updated 3 years ago
- ☆11Apr 22, 2024Updated last year
- ☆10Jan 2, 2021Updated 5 years ago