The official repo for the paper "RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning"
☆23Aug 25, 2026Updated 3 weeks ago
Alternatives and similar repositories for RetroDFM-R
Users that are interested in RetroDFM-R are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆32Sep 9, 2025Updated last year
- Multiple Optimized Specialists for AI-Driven Chemical Predictions☆114Feb 3, 2026Updated 7 months ago
- ☆35Apr 23, 2026Updated 4 months ago
- Official implementation of "A unified pre-trained deep learning framework for cross-task reaction performance prediction and synthesis pl…☆58Aug 24, 2026Updated 3 weeks ago
- Code for InstructBioMol, implementing the Nature Machine Intelligence paper "Advancing Biomolecular Understanding and Design Following Hu…☆33Aug 2, 2025Updated last year
- 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.
- ☆11Jun 4, 2021Updated 5 years ago
- Recursive LLMs for Retrosynthesis☆32Updated this week
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆21Jan 2, 2026Updated 8 months ago
- DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis☆30May 7, 2026Updated 4 months ago
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆35Sep 30, 2025Updated 11 months ago
- Make valid molecular graphs!☆23Mar 8, 2024Updated 2 years ago
- ☆13Apr 14, 2022Updated 4 years ago
- Light, Practical, memory-enabled AI orchestrator for science. Built on NanoClaw.☆30Mar 19, 2026Updated 6 months ago
- ☆16Apr 16, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆22Mar 10, 2026Updated 6 months ago
- ☆17Jul 7, 2024Updated 2 years ago
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆29Jul 2, 2024Updated 2 years ago
- Retrosynthesis Prediction with an Iterative String Editing Model☆36Dec 27, 2024Updated last year
- ChemPrice is a software designed to simplify the gathering of pricing data from more than 100 suppliers by integrating with ChemSpace, Mc…☆18Jan 16, 2024Updated 2 years ago
- Token-Mol 1.0：tokenized drug design with large language model☆67Jun 1, 2026Updated 3 months ago
- ☆19Feb 27, 2026Updated 6 months ago
- Source code of MOLLEO☆57Sep 5, 2026Updated 2 weeks ago
- [JCIM'25] AccFG: Functional Group Extraction and Molecular Structure Comparison☆31Jul 30, 2026Updated last month
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- This repository contains a reaction condition selector.☆17Mar 19, 2025Updated last year
- [KDD 2026] Chem-R: Learning to Reason as a Chemist☆31Oct 19, 2025Updated 11 months ago
- A collection of cheminformatics utility functions for use with marimo notebooks☆25Aug 21, 2026Updated 3 weeks ago
- A PyTorch implementation of Uni-Mol3.☆24Mar 24, 2026Updated 5 months ago
- [COLING 2025]A curated paper list about LLMs for chemistry☆157Mar 20, 2026Updated 5 months ago
- Code for "RGFN: Synthesizable Molecular Generation Using GFlowNets" (NeurIPS 2024)☆30Jun 9, 2025Updated last year
- ☆17Oct 1, 2025Updated 11 months ago
- AI for Chemical Spectra☆19Updated this week
- Prediction molecular structure from NMR spectra☆49Mar 19, 2024Updated 2 years ago
- 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.
- ☆54Aug 7, 2026Updated last month
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆24Oct 2, 2024Updated last year
- ☆46Jun 23, 2026Updated 2 months ago
- Flow Matching for Electron Redistribution☆153May 29, 2026Updated 3 months ago
- ☆13Apr 15, 2024Updated 2 years ago
- Official implementation of Panacea: A foundation model for clinical trial design, recruitment, search, and summarization.☆21Dec 24, 2024Updated last year
- 3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling (ICLR 2025)☆20Oct 23, 2025Updated 10 months ago