The official code for PDVN: Retrosynthetic Planning with Dual Value Networks (ICML 2023)
☆34Apr 21, 2024Updated 2 years ago
Alternatives and similar repositories for PDVN
Users that are interested in PDVN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- NeurIPS 2023 paper: De novo Drug Design using Reinforcement Learning with Multiple GPT Agents☆40Mar 27, 2024Updated 2 years ago
- PyTorch code accompanying the paper "Self-Improved Retrosynthetic Planning" (ICML 2021).☆25Jun 10, 2021Updated 5 years ago
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆29Jul 2, 2024Updated 2 years ago
- E_G_M_C_T_S☆16Nov 30, 2022Updated 3 years ago
- Retrosynthesis Prediction with an Iterative String Editing Model☆35Dec 27, 2024Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Base image providing dependencies for ASKCOS Docker images☆12Jun 14, 2024Updated 2 years ago
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆172Jul 9, 2022Updated 4 years ago
- Package for Retrosynthetic Planning☆206Aug 3, 2026Updated last week
- Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)☆31Jan 23, 2025Updated last year
- ☆12Jun 11, 2025Updated last year
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆91Aug 5, 2024Updated 2 years ago
- ☆13May 21, 2023Updated 3 years ago
- DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis☆29May 7, 2026Updated 3 months ago
- Modern Hopfield Network (MHN) for template relevance prediction☆49Sep 4, 2023Updated 2 years 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.
- RetroChimera: a frontier retrosynthesis model built on ensembling☆29Updated this week
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆84Nov 22, 2023Updated 2 years ago
- ☆23Nov 10, 2020Updated 5 years ago
- Data and model repository for the ASKCOS application☆17Feb 24, 2022Updated 4 years ago
- ☆18Jul 10, 2026Updated last month
- ☆15Jan 22, 2023Updated 3 years ago
- RetroBridge: Markov Bridge Model for Retrosynthesis Planning☆36Mar 26, 2024Updated 2 years ago
- Generic Machine Learning Potential for Accelerating Transition State Search in Organic Synthesis.☆17Mar 29, 2026Updated 4 months ago
- [KDD 2026] Chem-R: Learning to Reason as a Chemist☆30Oct 19, 2025Updated 9 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- [COLING 2025]A curated paper list about LLMs for chemistry☆155Mar 20, 2026Updated 4 months ago
- The repository for the generative pretrained model on polymer generation☆22Mar 20, 2026Updated 4 months ago
- Simple User-Friendly Reaction Format☆19Aug 5, 2026Updated last week
- Tools to train synthesis prediction models☆31Feb 11, 2026Updated 6 months ago
- Computer-aided synthesis planning☆58Updated this week
- Trust Region Preference Approximation: A simple and stable reinforcement learning algorithm for LLM reasoning☆15Jun 28, 2025Updated last year
- This repository contains a reaction condition selector.☆17Mar 19, 2025Updated last year
- Pre-trained Language Model for Scientific Text☆46Feb 22, 2024Updated 2 years ago
- ☆17Jun 3, 2024Updated 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.
- ☆54Updated this week
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆188Sep 18, 2023Updated 2 years ago
- ☆16Aug 5, 2024Updated 2 years ago
- Autonomous characterization of molecular compounds from small datasets without descriptors☆45Jun 25, 2025Updated last year
- Official code repository for the paper READRetro: Natural Product Biosynthesis Planning with Retrieval-Augmented Dual-View Retrosynthesis☆24Jun 8, 2024Updated 2 years ago
- ⛰️ PrexSyn: Efficient and Programmable Exploration of Synthesizable Chemical Space☆55Updated this week
- VMD Plugin and associated scripts to build lignin structures from topological specifications☆17Jul 17, 2025Updated last year