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
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆32Updated 4 years ago
- This repository contains a reaction condition selector.☆14Updated 10 months ago
- [CVPR 25] MarkushGrapher: Joint Visual and Textual Recognition of Markush Structures☆33Updated 3 months ago
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10Updated 3 years ago
- Implementation of MolSearch paper☆23Updated 2 years ago
- Source code for Single-step Retrosynthesis Prediction by Leveraging Commonly Preserved Substructures☆14Updated 2 years ago
- A Sequence Generation Model for Reaction Diagram Parsing☆26Updated 7 months ago
- ☆23Updated 3 years ago
- ☆27Updated last year
- semi-supervised learning for molecular property prediction☆52Updated 4 years ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆30Updated 2 years ago
- ☆31Updated 3 years ago
- Pretrained SMILES transformation model for finetuning for diverse molecular tasks.☆54Updated 3 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Updated 2 years ago
- ☆12Updated 3 years ago
- ☆29Updated last year
- Implementation of reaction condition prediction with Parrot☆20Updated 2 years ago
- This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction s…☆29Updated 2 years ago
- source code for deppHop☆36Updated 3 years ago
- Chemical reaction data cleaning☆31Updated 3 years ago
- The implementation of Modof for Molecule Optimization☆32Updated 2 years ago
- A Sequence Generation Model for Reaction Diagram Parsing☆101Updated 2 years ago
- Code for "IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep L…☆11Updated 2 years ago
- ☆22Updated 3 years ago
- ☆18Updated 2 years ago
- My first ever repository, some notebooks useful, others sucks. Topics include file format conversion with obabel, docking with Auto Dock,…☆26Updated 3 months ago
- ☆64Updated 2 years ago
- ☆31Updated 5 months ago