Extract structure-functions from data using XAI and LLMs
☆27Jan 20, 2025Updated last year
Alternatives and similar repositories for XpertAI
Users that are interested in XpertAI are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 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 last year
- ☆24Nov 24, 2024Updated last year
- ☆30Mar 27, 2025Updated last year
- Useful tips and tricks for chemists in a hurry, trying to get started with Blender 3D.☆11Apr 27, 2025Updated last year
- ☆19Oct 15, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆11Mar 2, 2023Updated 3 years ago
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆20Feb 14, 2024Updated 2 years ago
- Automated curve data extraction tool☆13Mar 23, 2023Updated 3 years ago
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆14Jan 17, 2022Updated 4 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Jul 18, 2024Updated 2 years ago
- ☆24Nov 10, 2020Updated 5 years ago
- https://doi.org/10.1016/j.chempr.2026.103035☆17Apr 22, 2026Updated 6 months ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆30Jan 16, 2024Updated 2 years ago
- a curated list of resources for everyone interested in learning about digital chemistry☆50Jan 25, 2026Updated 9 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- AROPS: A Framework of Automated Reaction Optimization with Parallelized Scheduling☆11Feb 28, 2023Updated 3 years ago
- Repository to store the code for publication reproducibility☆12Oct 11, 2024Updated 2 years ago
- The home of the SMARTS-RX project☆41Aug 19, 2026Updated 2 months ago
- Another Molecular String Representation☆11Oct 22, 2026Updated last week
- Teaching Material☆15Oct 2, 2024Updated 2 years ago
- Repository containing a benchmark dataset for machine learning property prediction of photoswitch molecules: https://pubs.rsc.org/en/cont…☆90Mar 12, 2023Updated 3 years ago
- ☆55Aug 7, 2026Updated 2 months ago
- ☆28Aug 20, 2025Updated last year
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆49Mar 2, 2021Updated 5 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- An open-source multi-modal toolbox for extracting structured synthesis procedures and performance data from materials science literature …☆45Sep 10, 2026Updated last month
- ☆16Updated this week
- ☆10Dec 27, 2018Updated 7 years ago
- Synthesis generative model☆49Apr 24, 2025Updated last year
- Model-based Analysis of Protein Degradability☆12Aug 30, 2021Updated 5 years ago
- ☆17Sep 16, 2025Updated last year
- ☆262May 17, 2024Updated 2 years ago
- EPFL CH-457 "AI for chemistry"☆297Apr 3, 2026Updated 6 months ago
- CrysText: A Generative AI Approach for Text-Conditioned Crystal Structure Generation using LLM☆22Jul 14, 2026Updated 3 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Converts clipboard content to smiles and much more☆65Jun 6, 2024Updated 2 years ago
- A toolkit for the automatic construction of self-labeled materials imaging datasets from scientific literature☆41Aug 18, 2023Updated 3 years ago
- Simple User-Friendly Reaction Format☆19Aug 5, 2026Updated 2 months ago
- ☆13Apr 11, 2019Updated 7 years ago
- Molecular MHFP fingerprints for cheminformatics applications☆99Feb 16, 2023Updated 3 years ago
- ☆24Jul 25, 2024Updated 2 years ago
- Code to compute electronic and steric features to create a database of ligands and their properties☆19Jan 11, 2022Updated 4 years ago