thomas0809 / textreactLinks
Predictive Chemistry Augmented with Text Retrieval
☆24Updated last year
Alternatives and similar repositories for textreact
Users that are interested in textreact are comparing it to the libraries listed below
Sorting:
- A Sequence Generation Model for Reaction Diagram Parsing☆82Updated last year
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated last year
- Precise reaction atom-to-atom mapping with LocalMapper☆38Updated 4 months ago
- Transformer-based model for chemical reactions☆81Updated 3 months ago
- ☆77Updated last year
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆40Updated 10 months ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆47Updated 4 years ago
- Downloads USPTO patents and finds molecules related to keyword queries☆64Updated last year
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆44Updated last month
- ☆70Updated last year
- ☆59Updated last year
- ☆48Updated 3 years ago
- [Nat. Commun.] PatCID: an open-access dataset of chemical structures in patent documents☆56Updated 5 months ago
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆25Updated last year
- Molecular Set Representation Learning☆47Updated 3 weeks ago
- Llamole: Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning☆30Updated 9 months ago
- ☆50Updated last year
- An atom-bond transformer-based message passing neural network for molecular property prediction.☆37Updated 2 years ago
- ☆27Updated last year
- Predicting Organic Reactivity with LocalTransform☆47Updated 4 months ago
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆33Updated 2 years ago
- a multi-property optimization method.☆32Updated 7 months ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆42Updated 2 years ago
- A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text☆30Updated 2 months ago
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆52Updated 3 weeks ago
- Serializing molecule 3D structures☆13Updated 8 months ago
- ☆22Updated 8 months ago
- ☆30Updated 2 years ago
- Building-block and reaction-aware SAScore☆14Updated 5 months ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year