Transformer-based model for chemical reactions
☆95Jan 14, 2026Updated 6 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☆35Dec 15, 2022Updated 3 years ago
- Frontend for evaluating humans on chemistry questions☆11Sep 1, 2024Updated last year
- 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.☆98Apr 13, 2026Updated 3 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A simple molecule fragmentation method.☆42Oct 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☆115May 6, 2026Updated 2 months ago
- PyTorch/PyG implementation of M3GNet☆11Sep 11, 2023Updated 2 years ago
- ☆428Apr 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 3 years ago
- ☆24Jun 23, 2021Updated 5 years ago
- ☆293Feb 11, 2026Updated 5 months ago
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆14Jan 17, 2022Updated 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.
- 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…☆381Feb 13, 2026Updated 5 months ago
- Python toolkit for resolving chemical schematic diagrams.☆45Apr 4, 2020Updated 6 years ago
- Action sequence prediction for arbitrary chemical equations☆26Mar 29, 2021Updated 5 years ago
- ☆32Nov 15, 2022Updated 3 years ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆90Aug 5, 2024Updated last year
- Finding organic reaction mechanism with reaction and mechanistic templates☆10Feb 8, 2026Updated 5 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆214Aug 12, 2021Updated 4 years ago
- RXN for biochemical reactions☆76Oct 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…☆23Sep 20, 2021Updated 4 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?☆143Jan 26, 2026Updated 6 months ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆82Jun 1, 2025Updated last year
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆857May 17, 2025Updated last year
- IUPAC2Struct☆37Jun 24, 2024Updated 2 years ago
- overview of datasets for ML in chemistry☆420Oct 22, 2025Updated 9 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆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☆43Oct 13, 2023Updated 2 years ago
- BayesOpt + LIFT☆84May 15, 2025Updated last year
- Wikipedia chemical structure explorer☆60Updated this week
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆188Sep 18, 2023Updated 2 years ago