jiachengxiong / alpha-ExtractorLinks
Test data for paper “αExtractor: a web server for automatic extraction of chemical structure from literature”
☆16Updated 2 years ago
Alternatives and similar repositories for alpha-Extractor
Users that are interested in alpha-Extractor are comparing it to the libraries listed below
Sorting:
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆30Updated 2 years ago
- [CVPR 25] MarkushGrapher: Joint Visual and Textual Recognition of Markush Structures☆32Updated 2 months ago
- Applying deep neural networks for retrosynthesis tasks☆37Updated 5 years ago
- Molecular SMILE generation with recurrent neural networks☆20Updated 6 months ago
- ☆75Updated last year
- ☆27Updated last year
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Updated 2 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year
- a multi-property optimization method.☆32Updated last year
- ☆31Updated 3 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆68Updated 2 years ago
- ☆53Updated last year
- Code for Single-step Retrosynthesis model Retroprime☆40Updated 4 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆45Updated last year
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆81Updated 2 years ago
- Smash molecule and obtain significant fragments☆20Updated 4 years ago
- ☆31Updated 3 years ago
- ☆28Updated 2 years ago
- ☆26Updated last year
- ☆20Updated last year
- source code for deppHop☆36Updated 3 years ago
- ☆17Updated 2 years ago
- Chemical reaction data cleaning☆31Updated 3 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- ☆22Updated 3 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆38Updated 2 years ago
- ☆15Updated 3 years ago
- My first ever repository, some notebooks useful, others sucks. Topics include file format conversion with obabel, docking with Auto Dock,…☆26Updated 2 months ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆55Updated 3 years ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆38Updated 7 months ago