ChemReasoner - Catalyst Discovery via Large Language Model-driven Reasoning
☆66Mar 25, 2026Updated 3 months ago
Alternatives and similar repositories for chemreasoner
Users that are interested in chemreasoner are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This repository contains information on the creation, evaluation, and benchmark models for the L+M-24 Dataset. L+M-24 will be featured as…☆30Jan 23, 2025Updated last year
- Monte Carlo Tree Search Self-Refine (MCTSr)☆21Jul 6, 2024Updated 2 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 11 months ago
- Structured Chemistry Reasoning with Large Language Models☆41May 4, 2024Updated 2 years ago
- Predictive Chemistry Augmented with Text Retrieval☆26Feb 20, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Quantum Programming Language Converter☆16Dec 14, 2025Updated 7 months ago
- The Shifted and The Overlooked: A Task-oriented Investigation of User-GPT Interactions (EMNLP 2023))☆13Dec 21, 2023Updated 2 years ago
- ☆14Jan 9, 2025Updated last year
- ☆54Apr 19, 2024Updated 2 years ago
- ☆14Jul 24, 2023Updated 2 years ago
- [ICML'24] Adsorbate Placement via Conditional Denoising Diffusion☆25May 9, 2024Updated 2 years ago
- ☆23Dec 4, 2024Updated last year
- Active learning applied to Pd-catalyzed C-N couplings.☆14Feb 21, 2025Updated last year
- [ICLR 2026] CMPhysBench: A Benchmark for Evaluating Large Language Models in Condensed Matter Physics☆30Nov 1, 2025Updated 8 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.
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆56Jun 23, 2025Updated last year
- ☆20Oct 6, 2025Updated 9 months ago
- Uncertainty quantification (UQ) for Machine-Learning Interatomic Potentials (MLIPs)☆30Jun 9, 2026Updated last month
- This repository curates open-source models and related resources for the PXRD to crystal structure generation task.☆15Updated this week
- Infrastructure to implement and train NNPs☆28Jul 11, 2026Updated last week
- ☆25Jan 22, 2025Updated last year
- ☆15Apr 8, 2026Updated 3 months ago
- Text-based modeling of materials.☆36Mar 12, 2026Updated 4 months ago
- MESS: Modern Electronic Structure Simulations☆43May 9, 2026Updated 2 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.
- Multimodal aid for mining of chemical reactions from PDFs☆39Jun 25, 2025Updated last year
- The IUPAC WorldFAIR Cookbook for FAIR chemical data☆29Jan 23, 2026Updated 5 months ago
- ☆24Nov 24, 2024Updated last year
- [COLING 2025]A curated paper list about LLMs for chemistry☆153Mar 20, 2026Updated 4 months ago
- Associated Repository for "Translation between Molecules and Natural Language"☆194Sep 15, 2023Updated 2 years ago
- [OPEN Survey] A collection of papers on XRD-based crystal structure identification and analysis.☆20Jul 14, 2026Updated last week
- CheMixHub: Datasets and Benchmarks for Chemical Mixture Property Prediction☆34Feb 27, 2026Updated 4 months ago
- Preprocessing of datasets of chemical reactions: standardization, filtering, augmentation, tokenization, etc.☆16Sep 10, 2025Updated 10 months ago
- Atom-by-atom design of metal oxide catalysts for the oxygen evolution reaction with Machine Learning☆12Oct 19, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Semi-supervised Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation. (AAAI 23…☆12Jan 14, 2023Updated 3 years ago
- Active learning symbolic regression CFD + AI = Wow☆17Apr 21, 2022Updated 4 years ago
- ChemNLP project☆176Jul 13, 2026Updated last week
- How good are LLMs at chemistry?☆143Jan 26, 2026Updated 5 months ago
- ☆10Jul 7, 2025Updated last year
- ☆27May 22, 2024Updated 2 years ago
- ☆18May 11, 2026Updated 2 months ago