image-to-mol
Science Score: 67.0%
This score indicates how likely this project is to be science-related based on various indicators:
-
✓CITATION.cff file
Found CITATION.cff file -
✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
✓DOI references
Found 3 DOI reference(s) in README -
✓Academic publication links
Links to: zenodo.org -
○Academic email domains
-
○Institutional organization owner
-
○JOSS paper metadata
-
○Scientific vocabulary similarity
Low similarity (14.2%) to scientific vocabulary
Last synced: 6 months ago
·
JSON representation
·
Repository
Basic Info
- Host: GitHub
- Owner: gauravmasand
- License: mit
- Language: Python
- Default Branch: main
- Size: 4.12 MB
Statistics
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0
- Releases: 0
Created about 1 year ago
· Last pushed about 1 year ago
Metadata Files
Readme
Changelog
License
Code of conduct
Citation
README.md
# 🧪 DECIMER Image Transformer 🖼️
### Deep Learning for Chemical Image Recognition using Efficient-Net V2 + Transformer
📚 Table of Contents
- Abstract
- Method and Model Changes
- Installation
- Usage
- Hand-drawn Model
- Citation
- Acknowledgements
- Author
- Project Website
- Research Group
🔬 Abstract
The DECIMER 2.2 project tackles the OCSR (Optical Chemical Structure Recognition) challenge using cutting-edge computational intelligence methods. Our goal? To provide an automated, open-source software solution for chemical image recognition.
We've supercharged DECIMER with Google's TPU (Tensor Processing Unit) to handle datasets of over 1 million images with lightning speed!
🧠 Method and Model Changes
🖼️ Image Feature ExtractionNow utilizing EfficientNet-V2 for superior image analysis |
🔮 SMILES PredictionEmploying a state-of-the-art transformer model |
🚀 Training Enhancements
- TFRecord Files: Lightning-fast data reading
- Google Cloud Buckets: Efficient cloud storage solution
- TensorFlow Data Pipeline: Optimized data loading
- TPU Strategy: Harnessing the power of Google's TPUs
💻 Installation
```bash
Create a conda wonderland
conda create --name DECIMER python=3.10.0 -y conda activate DECIMER
Equip yourself with DECIMER
pip install decimer ```
🎮 Usage
```python from DECIMER import predict_SMILES
Unleash the power of DECIMER
imagepath = "path/to/your/chemical/masterpiece.jpg" SMILES = predictSMILES(image_path) print(f"🎉 Decoded SMILES: {SMILES}") ```
✍️ DECIMER - Hand-drawn Model
🌟 **New Feature Alert!** 🌟
Our latest model brings the magic of AI to hand-drawn chemical structures!
[](https://doi.org/10.5281/zenodo.10781330)
📜 Citation
If DECIMER helps your research, please cite:
1. Rajan K, et al. "DECIMER.ai - An open platform for automated optical chemical structure identification, segmentation and recognition in scientific publications." *Nat. Commun.* 14, 5045 (2023).
2. Rajan, K., et al. "DECIMER 1.0: deep learning for chemical image recognition using transformers." *J Cheminform* 13, 61 (2021).
3. Rajan, K., et al. "Advancements in hand-drawn chemical structure recognition through an enhanced DECIMER architecture," *J Cheminform* 16, 78 (2024).
🙏 Acknowledgements
- A big thank you to Charles Tapley Hoyt for his invaluable contributions!
- Powered by Google's TPU Research Cloud (TRC)
👨🔬 Author: Kohulan
🌐 Project Website
Experience DECIMER in action at decimer.ai, brilliantly implemented by Otto Brinkhaus!
🏫 Research Group
### 📊 Project Analytics
Owner
- Name: Gaurav Masand
- Login: gauravmasand
- Kind: user
- Location: Amravati, Maharashtra, India
- Twitter: GauravMasand5
- Repositories: 2
- Profile: https://github.com/gauravmasand
I am Android & iOS developer.
Citation (CITATION.cff)
cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
- family-names: "Rajan"
given-names: "Kohulan"
orcid: "https://orcid.org/0000-0003-1066-7792"
- family-names: "Zielesny"
given-names: "Achim"
orcid: "https://orcid.org/0000-0003-0722-4229"
- family-names: "Steinbeck"
given-names: "Christoph"
orcid: "https://orcid.org/0000-0001-6966-0814"
title: "DECIMER-V2"
version: 2.2.0
doi: 10.5281/zenodo.7655952
date-released: 2022.05.18
url: "https://github.com/Kohulan/DECIMER-Image_Transformer-2"
license: MIT
GitHub Events
Total
- Push event: 4
- Create event: 2
Last Year
- Push event: 4
- Create event: 2
Dependencies
docs/requirements.txt
pypi
- efficientnet *
- furo *
- nbsphinx *
- numpy >=1.19
- opencv-python *
- pillow_heif *
- pre-commit *
- pystow *
- pyyaml *
- sphinx-autodoc-typehints *
- sphinx_material *
- sphinx_rtd_theme *
- tensorflow >=2.6.3
requirements.txt
pypi
- efficientnet *
- opencv-python *
- pillow-heif *
- pre-commit *
- pystow *
- tensorflow >=2.8.0,<=2.15.0
server/requirements.txt
pypi
- aiofiles ==23.2.1
- fastapi ==0.104.1
- pydantic ==2.4.2
- pymongo *
- python-multipart ==0.0.6
- starlette ==0.27.0
- typing-extensions ==4.8.0
- uvicorn ==0.24.0
setup.py
pypi
- efficientnet *
- opencv-python *
- pillow-heif *
- pystow *
- pyyaml *
- selfies *
- tensorflow_os ,