yuqianghan / editretroLinks
Retrosynthesis Prediction with an Iterative String Editing Model
☆22Updated 8 months ago
Alternatives and similar repositories for editretro
Users that are interested in editretro are comparing it to the libraries listed below
Sorting:
- ☆70Updated last year
- Transformer-based model for chemical reactions☆86Updated 4 months ago
- Contains results and data from Augmented Transformer article☆38Updated 5 years ago
- Precise reaction atom-to-atom mapping with LocalMapper☆42Updated 5 months ago
- ☆80Updated last year
- Text mining of chemical reactions☆107Updated 10 months ago
- A Sequence Generation Model for Reaction Diagram Parsing☆85Updated 2 years ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆81Updated last year
- ☆61Updated last year
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated last year
- Retrosynthesis prediction for organic molecules with LocalRetro☆100Updated last year
- ☆106Updated 4 years ago
- ☆28Updated last year
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆24Updated last year
- ☆50Updated last year
- MGA☆44Updated 4 years ago
- ☆44Updated 5 years ago
- This repository contains the code for https://decimer.ai☆48Updated last year
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆76Updated last year
- Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jc…☆34Updated 10 months ago
- The graph-convolutional neural network for pka prediction☆86Updated last year
- GraphRXN☆29Updated 2 years ago
- ☆28Updated last year
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆76Updated 3 years ago
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆33Updated 3 years ago
- ☆28Updated last year
- Pretrained SMILES transformation model for finetuning for diverse molecular tasks.☆49Updated 3 years ago
- [NeurIPS 2023] "Understanding the Limitations of Deep Models for Molecular Property Prediction: Insights and Solutions"☆11Updated last year
- Obtain and organize all feasible fragmentation of molecular methods☆33Updated 2 years ago
- ☆57Updated 3 years ago