☆14Aug 2, 2026Updated 2 months ago
Alternatives and similar repositories for RetroGFN
Users that are interested in RetroGFN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆11Oct 9, 2024Updated 2 years ago
- RetroBridge: Markov Bridge Model for Retrosynthesis Planning☆36Mar 26, 2024Updated 2 years ago
- The official code for PDVN: Retrosynthetic Planning with Dual Value Networks (ICML 2023)☆34Apr 21, 2024Updated 2 years ago
- The official implementation of the paper "MotifRetro: Exploring the Combinability-Consistency Trade-offs in retrosynthesis via Dynamic Mo…☆12Jun 25, 2023Updated 3 years ago
- ☆10May 16, 2024Updated 2 years ago
- 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.
- ☆20Feb 5, 2024Updated 2 years ago
- Package for Retrosynthetic Planning☆212Oct 7, 2026Updated last week
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆83Nov 22, 2023Updated 2 years ago
- [KDD 2026] Chem-R: Learning to Reason as a Chemist☆32Oct 19, 2025Updated last year
- ☆48Aug 4, 2023Updated 3 years ago
- ☆23Mar 10, 2026Updated 7 months ago
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆13May 25, 2020Updated 6 years ago
- [ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaoru…☆31Sep 3, 2024Updated 2 years ago
- Diffusion-based generative drug-like molecular editing with chemical natural language☆18Dec 22, 2024Updated 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.
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆29Jul 2, 2024Updated 2 years ago
- SMARTS sanitization☆34Mar 2, 2026Updated 7 months ago
- ☆22Mar 5, 2026Updated 7 months ago
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 3 years ago
- Source code of our ICML 2025 paper "Flowing Datasets with Wasserstein over Wasserstein Gradient Flows"☆21May 21, 2025Updated last year
- Modern Hopfield Network (MHN) for template relevance prediction☆49Sep 4, 2023Updated 3 years ago
- QGFN: Controllable Greediness with Action Values - Code☆11May 17, 2024Updated 2 years ago
- Transformer for End to End Molecule Property Prediction☆11Jun 1, 2022Updated 4 years ago
- ☆16Apr 16, 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.
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆94Aug 5, 2024Updated 2 years ago
- Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)☆31Jan 23, 2025Updated last year
- Precise reaction atom-to-atom mapping with LocalMapper☆52Jan 27, 2026Updated 8 months ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆49Mar 2, 2021Updated 5 years ago
- Implementation of VisualBackProp using Pytorch.☆14Oct 28, 2017Updated 8 years ago
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44May 13, 2025Updated last year
- Repository for training, evaluating and using synthesis prediction models☆20Aug 13, 2025Updated last year
- Chemical reaction data cleaning☆31Apr 19, 2022Updated 4 years ago
- Fourth edition of VNN COMP (2023)☆16Apr 12, 2023Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- [COLING 2025]A curated paper list about LLMs for chemistry☆156Mar 20, 2026Updated 6 months ago
- Synthesis-oriented molecular design "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆41Updated this week
- Computer-aided synthesis planning☆61Sep 16, 2026Updated last month
- ☆24Jul 25, 2024Updated 2 years ago
- ☆19Aug 22, 2026Updated last month
- ☆17Oct 1, 2025Updated last year
- Text mining of chemical reactions☆114Nov 10, 2024Updated last year