The repository contains the network and the related scripts for encoder-decoder based Chemical Image Recognition
☆105Jan 30, 2025Updated last year
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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- DECIMER Image Transformer is a deep-learning-based tool designed for automated recognition of chemical structure images. Leveraging trans…☆414Updated this week
- Chemical structure detection and segmentation tool for Journal articles.☆156Updated this week
- This repository contains the information related to the benchmark study on openly available OCSR tools☆46May 3, 2021Updated 5 years ago
- Deep Learning for Chemical Image Recognition (DECIMER)☆19May 3, 2021Updated 5 years ago
- Given an image of a molecule create a smiles or mol represenatation.☆26May 28, 2021Updated 5 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆134Mar 24, 2023Updated 3 years ago
- Img2SMILES generator☆27Aug 29, 2021Updated 5 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- Computational toolbox for virtual High Throughput Screening☆11Jul 11, 2023Updated 3 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 4 years ago
- This repository contains the code for https://decimer.ai☆60Nov 20, 2023Updated 2 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆48Jan 27, 2022Updated 4 years ago
- RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning☆24Aug 22, 2022Updated 4 years ago
- ☆13Nov 15, 2020Updated 5 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A Sequence Generation Model for Reaction Diagram Parsing☆30Jun 30, 2025Updated last year
- SMILES enumeration for QSAR modelling using LSTM recurrent neural networks☆250Apr 26, 2022Updated 4 years ago
- A bayesian retrosynthesis algorithm☆15Jun 1, 2026Updated 4 months ago
- ☆16Jan 1, 2020Updated 6 years ago
- MolTaut, a tool for the rapid generation of favorable states of drug-like molecules in water☆20Feb 1, 2023Updated 3 years ago
- ☆21Mar 14, 2023Updated 3 years ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- Molecular Annotation and Recognition for Curating Unravelled Structures☆31Jan 15, 2026Updated 9 months ago
- This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction s…☆33Oct 19, 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.
- Python toolkit for resolving chemical schematic diagrams.☆46Apr 4, 2020Updated 6 years ago
- ☆16Apr 16, 2024Updated 2 years ago
- A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM☆46Mar 13, 2023Updated 3 years ago
- 3D pharmacophore signatures and fingerprints☆119May 8, 2025Updated last year
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years ago
- DeepSMILES - A variant of SMILES for use in machine-learning☆146May 24, 2021Updated 5 years ago
- MolEnc: a molecular encoder using rdkit and OCaml.☆21May 12, 2026Updated 5 months ago
- FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …☆38Aug 6, 2021Updated 5 years ago
- Optical Chemical Structure Recognition Tool (based on OSRA)☆19Mar 22, 2017Updated 9 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Input- hand-drawn image of molecule... Output- SMILES format molecule name☆16Apr 23, 2019Updated 7 years ago
- active learning for accelerated high-throughput virtual screening☆215Jun 15, 2024Updated 2 years ago
- github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"☆109Mar 20, 2022Updated 4 years ago
- ☆45May 12, 2020Updated 6 years ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆72Apr 5, 2021Updated 5 years ago
- MAYGEN is an open source chemical structure generator based on the orderly graph generation method.☆59Sep 27, 2026Updated last month
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Apr 4, 2020Updated 6 years ago