Twitter retrosynthesis bot
☆13Jul 10, 2022Updated 4 years ago
Alternatives and similar repositories for retrosynthesis_bot
Users that are interested in retrosynthesis_bot are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 3 years ago
- ☆11Aug 3, 2023Updated 2 years ago
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆29Jul 2, 2024Updated 2 years ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆90Aug 5, 2024Updated last year
- Computer-aided synthesis planning☆56Jul 12, 2026Updated 2 weeks 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.
- Input- hand-drawn image of molecule... Output- SMILES format molecule name☆16Apr 23, 2019Updated 7 years ago
- Deep Learning for Chemical Image Recognition (DECIMER)☆19May 3, 2021Updated 5 years ago
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆170Jul 9, 2022Updated 4 years ago
- Retrosynthesis prediction for organic molecules with LocalRetro☆117Jan 27, 2026Updated 6 months ago
- Another Molecular String Representation☆10Jul 6, 2026Updated 3 weeks ago
- ChemPrice is a software designed to simplify the gathering of pricing data from more than 100 suppliers by integrating with ChemSpace, Mc…☆17Jan 16, 2024Updated 2 years ago
- ☆17Nov 16, 2018Updated 7 years ago
- Collection of machine learning models for predicting toxicity of molecules☆12May 6, 2020Updated 6 years ago
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆13May 25, 2020Updated 6 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.
- Tool for mining structure-property relationships from chemical datasets☆16May 5, 2026Updated 2 months ago
- DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis☆29May 7, 2026Updated 2 months ago
- Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)☆62Jun 29, 2023Updated 3 years ago
- ChemCharts is a module that allows you to plot chemical space in various figure types☆17Sep 24, 2023Updated 2 years ago
- [WWW 25] USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset☆19Dec 12, 2024Updated last year
- ☆16Aug 5, 2024Updated last year
- Img2SMILES generator☆27Aug 29, 2021Updated 4 years ago
- ☆20Dec 5, 2024Updated last year
- SMARTS sanitization☆34Mar 2, 2026Updated 4 months 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.
- The semi-unsupervised version of the molecule recognition engine, chemtype.☆19Feb 6, 2019Updated 7 years ago
- Code and analyses related to the ExaLearn drug design efforts☆11Sep 30, 2020Updated 5 years ago
- A collection of cheminformatics utility functions for use with marimo notebooks☆20Jan 11, 2026Updated 6 months ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Jul 5, 2025Updated last year
- https://arxiv.org/abs/2102.11439☆21Apr 13, 2021Updated 5 years ago
- Generative models of chemical data for PaccMann^RL☆13Jun 2, 2023Updated 3 years ago
- ☆12Nov 15, 2020Updated 5 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆98Apr 13, 2026Updated 3 months ago
- Metabolomics And Dereplication By Two-dimensional Experiments - MADByTE NMR Metabolomics Platform☆13Jul 23, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Optical Chemical Structure Recognition Tool (based on OSRA)☆19Mar 22, 2017Updated 9 years ago
- Python wrapper for the IBM RXN for Chemistry API☆255Dec 10, 2025Updated 7 months ago
- Calculating paramagnetic NMR effects in proteins☆10May 20, 2022Updated 4 years ago
- Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina☆25Apr 20, 2020Updated 6 years ago
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆142Dec 10, 2022Updated 3 years ago
- Toolkit for synthesis planning☆40Updated this week
- Tools to train synthesis prediction models☆31Feb 11, 2026Updated 5 months ago