Rebalancing chemical reaction
☆29Mar 23, 2026Updated 2 months ago
Alternatives and similar repositories for SynRBL
Users that are interested in SynRBL are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Graph based Reaction Template Extraction☆36Jul 18, 2025Updated 10 months ago
- Toolkit for synthesis planning☆38May 13, 2026Updated last week
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Jan 13, 2025Updated last year
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆370Feb 13, 2026Updated 3 months ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Mar 2, 2021Updated 5 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- EMNLP 2022 Demo "SynKB: Semantic Search for Chemical Synthesis Procedures"☆17Oct 31, 2022Updated 3 years ago
- ☆13May 21, 2023Updated 3 years ago
- ☆11Sep 16, 2024Updated last year
- Library for processing molecules and reactions in python way☆52May 10, 2026Updated 2 weeks ago
- Package that facilitates pulling database entries from KEGG via its REST API☆12Mar 20, 2026Updated 2 months ago
- ☆22Jul 25, 2024Updated last year
- Notebook tutorials for MolecularGraph.jl☆11Jun 22, 2025Updated 11 months ago
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆22Apr 21, 2024Updated 2 years ago
- Graphical implementation of the Game of Life for Emacs☆17May 6, 2020Updated 6 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Official repository for the paper "Improving black-box optimization in VAE latent space using decoder uncertainty" (Pascal Notin, José Mi…☆30Oct 5, 2023Updated 2 years ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆52Jul 23, 2025Updated 10 months ago
- ☆20Apr 12, 2024Updated 2 years ago
- CGRs, molecules and reactions manipulation☆51Oct 31, 2022Updated 3 years ago
- Library for modeling molecules and reactions in pytorch☆18Oct 5, 2025Updated 7 months ago
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆53Mar 10, 2025Updated last year
- Revised breaking of retrosynthetically interesting chemical substructures (r-BRICS) – a revised BRICS module based on rdKit that breaks r…☆17Mar 14, 2025Updated last year
- This project introduces a novel single-step retrosynthesis approach based on chemical compound substructures and fingerprint descriptors.☆19Mar 31, 2021Updated 5 years ago
- Official code of Graph Truncated Attention for Retrosynthesis in AAAI2021☆14Apr 10, 2023Updated 3 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.
- Reaction Analysis through Imaging of Chemical Units☆16Dec 5, 2025Updated 5 months ago
- ☆14Jul 24, 2023Updated 2 years ago
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Dec 24, 2025Updated 5 months ago
- A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.☆166Sep 9, 2025Updated 8 months ago
- A novel template-free retrosynthesizer that can generate diverse sets of reactants for a desired product via discrete conditional variati…☆15Aug 7, 2022Updated 3 years ago
- a Python program for running QM/MM simulations using Q-Chem and OpenMM☆16Apr 24, 2022Updated 4 years ago
- DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis☆28May 7, 2026Updated 2 weeks ago
- A package for the simulation of gas chromatography (GC)☆17May 9, 2026Updated 2 weeks ago
- InsightGraph: A Visual Journey through Materials Articles☆18Jul 20, 2023Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Webpage for the ChemRxiv dashboard☆11Mar 10, 2025Updated last year
- This code accompanies our paper "A fractal dimension for measures via persistent homology"☆11Jan 15, 2019Updated 7 years ago
- ☆14Jan 9, 2025Updated last year
- A Comprehensive Topological Complexity Indicator for Small Molecules☆18Sep 14, 2024Updated last year
- Converts clipboard content to smiles and much more☆65Jun 6, 2024Updated last year
- SMARTS sanitization☆33Mar 2, 2026Updated 2 months ago
- 📽️ Game-changing scripts for molecular visualization — produce Hollywood-quality visuals with scientific accuracy and cinematic impact☆91May 7, 2026Updated 2 weeks ago