Recursive LLMs for Retrosynthesis
☆27Jul 19, 2026Updated this week
Alternatives and similar repositories for DeepRetro
Users that are interested in DeepRetro are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆19Feb 27, 2026Updated 4 months ago
- MCP server that enables language models to interact with RDKit through natural language☆41May 4, 2026Updated 2 months ago
- ☆13Dec 29, 2022Updated 3 years ago
- ☆13Apr 14, 2022Updated 4 years ago
- This repository contains a reaction condition selector.☆16Mar 19, 2025Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- ☆17Jul 7, 2024Updated 2 years ago
- Virtual Medicinal Chemist, SAR reasoning☆36Jun 9, 2026Updated last month
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- A unified tree search framework for molecular generation.☆20Jul 14, 2026Updated last week
- Computer-aided synthesis planning☆56Jul 12, 2026Updated last week
- RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning☆23Nov 22, 2025Updated 7 months ago
- ☆21Mar 10, 2026Updated 4 months ago
- FingerPrint Kit - Python-based cheminformatics package for fingerprint-related tasks☆12Jun 4, 2025Updated last year
- ☆24Aug 18, 2025Updated 11 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.
- ☆40Feb 20, 2026Updated 5 months ago
- ☆54Jul 2, 2026Updated 2 weeks ago
- Toolkit for synthesis planning☆40Updated this week
- ☆27Jun 29, 2025Updated last year
- Chemical compound registration system: lightweight, flexible, hackable☆15Mar 11, 2026Updated 4 months ago
- A package for calling DEL selections and running data analysis on the results☆18Updated this week
- ☆19Jul 8, 2022Updated 4 years ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆56Jul 23, 2025Updated 11 months ago
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆31Mar 14, 2026Updated 4 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.
- DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis☆29May 7, 2026Updated 2 months ago
- A molecular machine learning MCP server that enables LLMs to handle molecular data☆28Jun 29, 2026Updated 3 weeks ago
- A deep reinforcement learning library for conformer generation.☆20Apr 15, 2024Updated 2 years ago
- ☆20May 25, 2026Updated last month
- ☆48Apr 24, 2026Updated 2 months ago
- Notebooks demonstrating how to do simple tasks related to free energy calculations.☆68Jul 7, 2026Updated 2 weeks ago
- ☆19Mar 3, 2026Updated 4 months ago
- NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models☆15Sep 5, 2025Updated 10 months ago
- ☆11Aug 3, 2023Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A Rust library for parsing PDB (Protein Data Bank) files☆20Apr 27, 2026Updated 2 months ago
- few-shot compound activity regression☆12Aug 19, 2024Updated last year
- SMARTS sanitization☆33Mar 2, 2026Updated 4 months ago
- Probabilistic Inference for NOvel Therapeutics☆15Feb 5, 2022Updated 4 years ago
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆14Feb 11, 2026Updated 5 months ago
- Code and analyses related to the ExaLearn drug design efforts☆11Sep 30, 2020Updated 5 years ago
- Selection language for RDKit☆17Mar 20, 2026Updated 4 months ago