Transformer-based model for chemical reactions
☆95Jan 14, 2026Updated 8 months ago
Alternatives and similar repositories for t5chem
Users that are interested in t5chem are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Energy-based modeling of chemical reactions☆34Dec 15, 2022Updated 3 years ago
- Frontend for evaluating humans on chemistry questions☆11Sep 1, 2024Updated 2 years ago
- Mechanical Turk on your own machine for chemical literature annotation☆13Feb 17, 2022Updated 4 years ago
- (inactive) A web application client for chemical data analysis and visualization.☆18Jun 22, 2022Updated 4 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆102Sep 16, 2026Updated last week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A simple molecule fragmentation method.☆43Oct 20, 2023Updated 2 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆49Mar 2, 2021Updated 5 years ago
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆118May 6, 2026Updated 4 months ago
- PyTorch/PyG implementation of M3GNet☆12Sep 11, 2023Updated 3 years ago
- ☆429Apr 18, 2022Updated 4 years ago
- Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc…☆141Aug 5, 2022Updated 4 years ago
- ☆24Jun 23, 2021Updated 5 years ago
- ☆292Feb 11, 2026Updated 7 months ago
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆14Jan 17, 2022Updated 4 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.
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆86Mar 26, 2022Updated 4 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- Code for training machine learning model for reaction condition prediction☆48Apr 30, 2020Updated 6 years ago
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆385Feb 13, 2026Updated 7 months ago
- Python toolkit for resolving chemical schematic diagrams.☆46Apr 4, 2020Updated 6 years ago
- Action sequence prediction for arbitrary chemical equations☆27Mar 29, 2021Updated 5 years ago
- ☆32Nov 15, 2022Updated 3 years ago
- Finding organic reaction mechanism with reaction and mechanistic templates☆11Feb 8, 2026Updated 7 months ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆94Aug 5, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆214Aug 12, 2021Updated 5 years ago
- RXN for biochemical reactions☆77Oct 18, 2022Updated 3 years ago
- The goal of the UDM project is to create and publish an open, extendable and freely available data format for exchange of experimental i…☆24Sep 20, 2021Updated 5 years ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆62Mar 16, 2023Updated 3 years ago
- How good are LLMs at chemistry?☆147Jan 26, 2026Updated 8 months ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆84Jun 1, 2025Updated last year
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆864May 17, 2025Updated last year
- IUPAC2Struct☆37Jun 24, 2024Updated 2 years ago
- overview of datasets for ML in chemistry☆425Sep 1, 2026Updated 3 weeks ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆13May 21, 2023Updated 3 years ago
- Source code for Single-step Retrosynthesis Prediction by Leveraging Commonly Preserved Substructures☆15Jun 9, 2023Updated 3 years ago
- ☆89Mar 12, 2018Updated 8 years ago
- Extraction of action sequences from experimental procedures☆42Oct 13, 2023Updated 2 years ago
- BayesOpt + LIFT☆85May 15, 2025Updated last year
- Wikipedia chemical structure explorer☆61Updated this week
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆190Sep 18, 2023Updated 3 years ago