DS4SD / MarkushGrapherLinks
[CVPR 25] MarkushGrapher: Joint Visual and Textual Recognition of Markush Structures
☆28Updated this week
Alternatives and similar repositories for MarkushGrapher
Users that are interested in MarkushGrapher are comparing it to the libraries listed below
Sorting:
- A Sequence Generation Model for Reaction Diagram Parsing☆25Updated 3 months ago
- A quantitative benchmark and analysis of molecular large language models.☆17Updated 4 months ago
- ☆16Updated 2 months ago
- PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design…☆25Updated 3 years ago
- ☆30Updated 2 years ago
- ☆15Updated 2 years ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated last year
- ☆12Updated last year
- Code Space of SynLlama☆29Updated 4 months ago
- Structure-based drug design based on Retrieval Augmented Generation☆19Updated last year
- Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…☆15Updated 5 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆31Updated last year
- ☆28Updated 3 months ago
- Multiple Optimized Specialists for AI-Driven Chemical Predictions☆19Updated last week
- DyRAMO: Dynamic Reliability Adjustment for Multi-objective Optimization☆12Updated 6 months ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆19Updated 2 years ago
- Downloads USPTO patents and finds molecules related to keyword queries☆67Updated last year
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆22Updated last month
- DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis☆24Updated last week
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆57Updated 3 months ago
- Hierarchical template correction for chemical reactions☆16Updated last year
- Code for "De novo molecular design with chemical language models"☆13Updated 3 years ago
- ☆16Updated 3 years ago
- An atom-bond transformer-based message passing neural network for molecular property prediction.☆37Updated 2 years ago
- ☆26Updated 2 years ago
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆34Updated 2 months ago
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆20Updated last year
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Updated 2 years ago
- ☆11Updated last year
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆24Updated last year