Kohulan / DECIMER-Image-to-SMILESLinks
The repository contains the network and the related scripts for encoder-decoder based Chemical Image Recognition
☆95Updated 7 months ago
Alternatives and similar repositories for DECIMER-Image-to-SMILES
Users that are interested in DECIMER-Image-to-SMILES are comparing it to the libraries listed below
Sorting:
- Graph neural networks for molecular machine learning. Implemented and compatible with TensorFlow and Keras.☆58Updated 2 months ago
- ☆121Updated 2 years ago
- ☆46Updated 3 years ago
- Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)☆80Updated last year
- Pretrained SMILES transformation model for finetuning for diverse molecular tasks.☆48Updated 3 years ago
- DeepSMILES - A variant of SMILES for use in machine-learning☆140Updated 4 years ago
- Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer☆149Updated 2 years ago
- A python package for chemical space visualization.☆148Updated 8 months ago
- Molecular vectorization and batch generation☆50Updated 4 years ago
- Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc…☆124Updated 3 years ago
- RDKit related blog posts, notebooks, and data.☆143Updated this week
- Retrosynthesis reaction prediction using Transformer sequence to sequence models and SMILES based data augmentation☆64Updated 5 years ago
- Supporting code for the paper «Generative molecular design in low data regimes»☆64Updated 4 years ago
- Recurrent Neural Network using randomized SMILES strings to generate molecules☆93Updated 5 years ago
- A SMILES-based encoder-decoder architecture for molecular scaffold decoration☆81Updated 5 years ago
- ☆105Updated 4 years ago
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆186Updated 4 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆51Updated 5 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆69Updated 2 months ago
- ☆56Updated 2 years ago
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆87Updated 4 years ago
- Refined and extended version of ChemTS☆110Updated 2 weeks ago
- Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)☆106Updated last month
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆55Updated 2 years ago
- Python for chemoinformatics☆51Updated 6 years ago
- Retrosynthesis prediction for organic molecules with LocalRetro☆99Updated last year
- This repository contains the code for https://decimer.ai☆48Updated last year
- The graph-convolutional neural network for pka prediction☆82Updated last year
- ☆91Updated 2 years ago
- Chemical structure detection and segmentation tool for Journal articles.☆114Updated 2 weeks ago