Qihoo360 / CReSSLinks
Cross-model Retrieval between 13C NMR Spectrum and Structure
☆20Updated 4 years ago
Alternatives and similar repositories for CReSS
Users that are interested in CReSS are comparing it to the libraries listed below
Sorting:
- ☆24Updated 3 years ago
- ☆31Updated 3 years ago
- This repository contains a reaction condition selector.☆10Updated 8 months ago
- Source code for Single-step Retrosynthesis Prediction by Leveraging Commonly Preserved Substructures☆14Updated 2 years ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated 2 years ago
- Pretrained SMILES transformation model for finetuning for diverse molecular tasks.☆51Updated 3 years ago
- ☆31Updated 3 years ago
- My first ever repository, some notebooks useful, others sucks. Topics include file format conversion with obabel, docking with Auto Dock,…☆26Updated last month
- Implementation of MolSearch paper☆23Updated 2 years ago
- semi-supervised learning for molecular property prediction☆52Updated 4 years ago
- Implementation of reaction condition prediction with Parrot☆16Updated 2 years ago
- A Sequence Generation Model for Reaction Diagram Parsing☆91Updated 2 years ago
- ☆29Updated last year
- This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction s…☆28Updated 2 years ago
- A Sequence Generation Model for Reaction Diagram Parsing☆25Updated 4 months ago
- This repository contains the information related to the benchmark study on openly available OCSR tools☆42Updated 4 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆32Updated 4 years ago
- ☆17Updated 2 years ago
- Applying deep neural networks for retrosynthesis tasks☆37Updated 5 years ago
- ☆10Updated 2 years ago
- Chemical reaction data cleaning☆30Updated 3 years ago
- Test data for paper “αExtractor: a web server for automatic extraction of chemical structure from literature”☆14Updated last year
- ☆10Updated 2 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆56Updated 3 years ago
- Smash molecule and obtain significant fragments☆19Updated 4 years ago
- ☆27Updated last year
- [CVPR 25] MarkushGrapher: Joint Visual and Textual Recognition of Markush Structures☆32Updated 3 weeks ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆23Updated 2 years ago
- ☆23Updated 3 years ago
- An atom-bond transformer-based message passing neural network for molecular property prediction.☆37Updated 2 years ago