Future-House / ether0Links
A scientific reasoning model, dataset, and reward functions for chemistry.
☆123Updated 2 months ago
Alternatives and similar repositories for ether0
Users that are interested in ether0 are comparing it to the libraries listed below
Sorting:
- Fine-tuning Galactica and Gemma to operate on SMILES. Integrates into a molecular optimization algorithm.☆34Updated 6 months ago
- How good are LLMs at chemistry?☆109Updated this week
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆42Updated last year
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆250Updated 3 months ago
- Language models for drug discovery using torchrl☆93Updated this week
- Molecular dynamics simulations with an LLM agent☆204Updated 4 months ago
- ☆22Updated 9 months ago
- Source code of MOLLEO☆47Updated last month
- Package for Retrosynthetic Planning☆158Updated last month
- ☆40Updated 10 months ago
- torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inve…☆275Updated 2 weeks ago
- ☆91Updated last year
- Sample-efficient Generative Molecular Design using Memory Manipulation☆60Updated 2 months ago
- Learning Universal Representations of Intermolecular Interactions with ATOMICA☆173Updated last month
- Generative modeling of molecular dynamics trajectories☆166Updated 4 months ago
- ☆39Updated last year
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.☆65Updated 2 months ago
- BARTSmiles, generative masked language model for molecular representations☆34Updated last year
- The Open Source Code for LLM4SD (Large Language Models for Scientific Synthesis, Inference and Explanation)☆114Updated 8 months ago
- ☆83Updated last month
- LLM Agent that leverages cheminformatics tools to provide informed responses.☆45Updated last month
- LLM for Drug Editing, ICLR 2024☆152Updated last year
- A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scient…☆85Updated 10 months ago
- ☆66Updated 2 years ago
- Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality …☆95Updated 2 months ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆121Updated last week
- Serializing molecule 3D structures☆13Updated 9 months ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆44Updated 2 months ago
- Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…☆68Updated 2 years ago
- Molecular Out-Of-Distribution☆37Updated 4 months ago