ur-whitelab / BO-ICLView external linksLinks
BayesOpt + LIFT
☆73May 15, 2025Updated 9 months ago
Alternatives and similar repositories for BO-ICL
Users that are interested in BO-ICL are comparing it to the libraries listed below
Sorting:
- A graph database tool for experimental data in materials science and chemistry.☆19Jan 7, 2025Updated last year
- ☆25Jan 22, 2025Updated last year
- Jupyter Book source files for MSD summer research internship.☆21Jul 6, 2023Updated 2 years ago
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 2 years ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Dec 8, 2020Updated 5 years ago
- Jupyter Book source files for 2022 MSD summer research internship.☆13Jul 10, 2023Updated 2 years ago
- Synthesis generative model☆48Apr 24, 2025Updated 9 months ago
- Illustrating how to publish battery data☆13May 27, 2025Updated 8 months ago
- Shaded 😎 quantile plots☆12Apr 14, 2022Updated 3 years ago
- The official implementation of PFNs4BO: In-Context Learning for Bayesian Optimization☆39Sep 18, 2025Updated 4 months ago
- ☆20May 7, 2024Updated last year
- CRIPT Python SDK☆11Apr 13, 2023Updated 2 years ago
- Python binding for Citrine's GEMD data model☆13Oct 2, 2025Updated 4 months ago
- Large Language Model for Catalyst Property Prediction☆27Mar 8, 2024Updated last year
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Nov 18, 2024Updated last year
- ☆28Nov 4, 2024Updated last year
- How good are LLMs at chemistry?☆132Jan 26, 2026Updated 2 weeks ago
- Language-interfaced fine-tuning for chemistry☆46Nov 30, 2023Updated 2 years ago
- This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.☆13Feb 22, 2022Updated 3 years ago
- Code Repository for "A Causal Framework to Quantify the Robustness of Mathematical Reasoning with Language Models".☆15Oct 14, 2022Updated 3 years ago
- Predict materials properties using only the composition information!☆17Jun 4, 2025Updated 8 months ago
- Chemical Methods Ontology☆15Jan 13, 2026Updated last month
- ☆38Mar 12, 2024Updated last year
- Official Code for What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks (In NeurIPS 2023)☆169Jul 26, 2024Updated last year
- Controlling Jubilees for Science!☆40Sep 9, 2025Updated 5 months ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44Jan 28, 2026Updated 2 weeks ago
- Official Repository for LLAMBO "Large Language Models to Enhance Bayesian Optimization"☆101Dec 18, 2024Updated last year
- ☆23Nov 2, 2024Updated last year
- ☆192Aug 11, 2025Updated 6 months ago
- Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)☆131Feb 7, 2026Updated last week
- Design space subset estimation using Bayesian algorithm execution with sklearn GP models☆25Nov 3, 2024Updated last year
- CME-ChatGPT Material Explorer☆23Jul 10, 2025Updated 7 months ago
- A NOMAD plugin containing base sections for material processing.☆11Jan 20, 2026Updated 3 weeks ago
- ☆258May 17, 2024Updated last year
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Jun 1, 2024Updated last year
- ☆26Jul 2, 2023Updated 2 years ago
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆22Mar 3, 2023Updated 2 years ago
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- A Battery Interface Ontology based on EMMO☆50Jan 27, 2026Updated 2 weeks ago