ABC-Net for molecular image recognition
☆18Jan 3, 2022Updated 4 years ago
Alternatives and similar repositories for ABC-Net
Users that are interested in ABC-Net are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction s…☆31Oct 19, 2023Updated 2 years ago
- Img2SMILES generator☆27Aug 29, 2021Updated 4 years ago
- Recognising hand-drawn molecules with neural networks☆37Nov 5, 2022Updated 3 years ago
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10May 29, 2022Updated 4 years ago
- ☆132Mar 24, 2023Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- [ICCV 23] MolGrapher: Graph-based Visual Recognition of Chemical Structures☆99Nov 18, 2025Updated 8 months ago
- DECIMER Image Transformer is a deep-learning-based tool designed for automated recognition of chemical structure images. Leveraging trans…☆394Dec 2, 2025Updated 7 months ago
- Given an image of a molecule create a smiles or mol represenatation.☆26May 28, 2021Updated 5 years ago
- Input- hand-drawn image of molecule... Output- SMILES format molecule name☆16Apr 23, 2019Updated 7 years ago
- Image to LaTeX pytorch model☆14Jul 6, 2023Updated 3 years ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Jul 5, 2025Updated last year
- [ICCV 23] MolGrapher: Graph-based Visual Recognition of Chemical Structures☆16Oct 27, 2025Updated 9 months ago
- Fine-tuning DeepSeek-OCR-2 for Optical Chemical Structure Recognition, including LoRA SFT, full SFT, customized GSPO and ReFT.☆16Jul 5, 2026Updated 3 weeks ago
- Twitter retrosynthesis bot☆13Jul 10, 2022Updated 4 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…☆44Sep 25, 2023Updated 2 years ago
- Transformer in Chemical Language Model sometimes misunderstands chirality☆13Apr 19, 2024Updated 2 years ago
- ☆17Nov 16, 2018Updated 7 years ago
- Tool for mining structure-property relationships from chemical datasets☆16May 5, 2026Updated 2 months ago
- JavaScript based molecule structure editor☆15Oct 14, 2009Updated 16 years ago
- Python application for finding apo and holo structures for user-defined protein-ligand interactions☆10Feb 7, 2023Updated 3 years ago
- ☆14Mar 7, 2024Updated 2 years ago
- graph generative model for molecule☆42Dec 17, 2019Updated 6 years ago
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Python optimisation of atomistic ligand charges to maximize receptor binding affinity☆12Aug 3, 2020Updated 5 years ago
- A convolutional neural network predicts the toxicity of a drug based on its molecular structure.☆16Mar 27, 2019Updated 7 years ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated last year
- This reposatory includes all scripts necessary to calculate the GRAil-based DEscriptor (GRADE) and the eXtended GRAil-based DEscriptor (X…☆13May 17, 2026Updated 2 months ago
- Graphical modelling with time series data using an ODE model☆12Mar 28, 2022Updated 4 years ago
- The semi-unsupervised version of the molecule recognition engine, chemtype.☆19Feb 6, 2019Updated 7 years ago
- This is the project for IRM methods☆12Sep 13, 2021Updated 4 years ago
- ☆14Aug 9, 2024Updated last year
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆38Oct 8, 2021Updated 4 years ago
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆15Feb 20, 2023Updated 3 years ago
- AAAI23-Directed Acyclic Graph Structure Learning from Dynamic Graphs☆12Nov 25, 2022Updated 3 years ago
- ☆20Oct 24, 2022Updated 3 years ago
- ☆21Mar 29, 2021Updated 5 years ago
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆56Feb 27, 2025Updated last year
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Dec 30, 2022Updated 3 years ago