RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning
☆23Nov 22, 2025Updated 7 months 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:
- ☆28Sep 9, 2025Updated 10 months ago
- Multiple Optimized Specialists for AI-Driven Chemical Predictions☆112Feb 3, 2026Updated 5 months ago
- ☆33Apr 23, 2026Updated 2 months ago
- Official implementation of "A unified pre-trained deep learning framework for cross-task reaction performance prediction and synthesis pl…☆52Jun 25, 2026Updated 3 weeks ago
- Code for InstructBioMol, implementing the Nature Machine Intelligence paper "Advancing Biomolecular Understanding and Design Following Hu…☆31Aug 2, 2025Updated 11 months ago
- 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.
- ☆11Jun 4, 2021Updated 5 years ago
- Recursive LLMs for Retrosynthesis☆27Updated this week
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆20Jan 2, 2026Updated 6 months ago
- DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis☆29May 7, 2026Updated 2 months ago
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆32Sep 30, 2025Updated 9 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.☆31Mar 19, 2026Updated 4 months ago
- ☆15Apr 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.
- ☆17Jul 7, 2024Updated 2 years ago
- ☆21Mar 10, 2026Updated 4 months ago
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆29Jul 2, 2024Updated 2 years ago
- ChemPrice is a software designed to simplify the gathering of pricing data from more than 100 suppliers by integrating with ChemSpace, Mc…☆17Jan 16, 2024Updated 2 years ago
- ☆54Apr 17, 2026Updated 3 months ago
- Token-Mol 1.0:tokenized drug design with large language model☆64Jun 1, 2026Updated last month
- ☆19Feb 27, 2026Updated 4 months ago
- A Model Enabling the Converting from Multi-dimensional NMR Quantum Representations into Structures☆17Jun 17, 2025Updated last year
- The official source code for [2024 NeurIPS] "Retrieval-Retro: Retrieval-based Inorganic Retrosynthesis with Expert Knowledge"☆37Jun 23, 2025Updated last year
- 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.
- A collection of cheminformatics utility functions for use with marimo notebooks☆20Jan 11, 2026Updated 6 months ago
- Source code of MOLLEO☆57Jul 8, 2025Updated last year
- Indigo ELN - Open Source Chemistry Electronic Lab Notebook☆57Updated this week
- [JCIM'25] AccFG: Functional Group Extraction and Molecular Structure Comparison☆29Dec 27, 2025Updated 6 months ago
- This repository contains a reaction condition selector.☆16Mar 19, 2025Updated last year
- [KDD 2026] Chem-R: Learning to Reason as a Chemist☆30Oct 19, 2025Updated 9 months ago
- AI for Chemical Spectra☆18Updated this week
- A PyTorch implementation of Uni-Mol3.☆24Mar 24, 2026Updated 3 months ago
- [COLING 2025]A curated paper list about LLMs for chemistry☆153Mar 20, 2026Updated 4 months ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Code for "RGFN: Synthesizable Molecular Generation Using GFlowNets" (NeurIPS 2024)☆30Jun 9, 2025Updated last year
- ☆17Oct 1, 2025Updated 9 months ago
- Prediction molecular structure from NMR spectra☆48Mar 19, 2024Updated 2 years ago
- Official implementation of Panacea: A foundation model for clinical trial design, recruitment, search, and summarization.☆21Dec 24, 2024Updated last year
- ☆41Jun 23, 2026Updated 3 weeks ago
- ☆13Apr 15, 2024Updated 2 years ago
- Flow Matching for Electron Redistribution☆149May 29, 2026Updated last month