Python package to atom map, correct and suggest enzymatic reactions
☆43Apr 11, 2024Updated last year
Alternatives and similar repositories for enzymemap
Users that are interested in enzymemap are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- RXN for biochemical reactions☆74Oct 18, 2022Updated 3 years ago
- Reaction SMILES-AA mapping via language modelling☆29Sep 11, 2024Updated last year
- CARE: a Benchmark Suite for the Classification and Retrieval of Enzymes☆43Jun 17, 2025Updated 9 months ago
- Reaction-Conditioned Virtual Screening of Enzymes☆42Jun 11, 2025Updated 9 months ago
- ☆12Jun 11, 2025Updated 9 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆81Jun 29, 2025Updated 9 months ago
- ☆12Dec 2, 2024Updated last year
- Machine learning prediction of enzyme optimum pH☆50Apr 29, 2025Updated 11 months ago
- Enzyme datasets used to benchmark enzyme-substrate promiscuity models☆40Jun 28, 2021Updated 4 years ago
- ☆19Jul 18, 2024Updated last year
- Optimized version of the Reaction Decoder Tool (RDTool)☆18Sep 17, 2020Updated 5 years ago
- ☆17Jun 15, 2022Updated 3 years ago
- RetroPath2.0 to pathways☆18Jan 28, 2026Updated 2 months ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆80Updated this week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Run OpenMM with forces provided by any Python program☆39Dec 25, 2024Updated last year
- Repository for Fast Non-autoregressive Inverse Folding with Discrete Diffusion☆18Feb 8, 2024Updated 2 years ago
- This is an official implementation for "MMSite: A Multi-modal Framework for the Identification of Active Sites in Proteins".☆18Jan 4, 2025Updated last year
- Automated Transition States Builder☆11Jun 1, 2023Updated 2 years ago
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆49Nov 4, 2025Updated 4 months ago
- Action sequence prediction for arbitrary chemical equations☆26Mar 29, 2021Updated 5 years ago
- Source code of the paper "Protein Sequence and Structure Co-Design with Equivariant Translation"☆24Sep 18, 2023Updated 2 years ago
- Reinforcement Learning based bioretrosynthesis tool☆56Apr 2, 2025Updated 11 months ago
- ☆15Jun 8, 2022Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- ☆27Mar 31, 2023Updated 2 years ago
- A structure-based, alignment-free embedding approach for proteins. Can be used as input to machine learning algorithms.☆41Jun 8, 2023Updated 2 years ago
- A repository containing the build steps for the ccpbiosim workshop on QM/MM☆68Mar 12, 2026Updated 2 weeks ago
- Ligand-Receptor docking with AutoDock Vina☆12Mar 21, 2024Updated 2 years ago
- ☆32Oct 27, 2025Updated 5 months ago
- Retrosynthesis Prediction with an Iterative String Editing Model☆30Dec 27, 2024Updated last year
- Structure-Informed Protein Language Model☆38Feb 15, 2024Updated 2 years ago
- Python module for parsing, writing, aligning, and manipulating glycan structrures☆10Feb 27, 2026Updated last month
- ☆78Sep 12, 2024Updated last year
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Adapting protein language models for structure-conditioned design☆40Aug 5, 2024Updated last year
- ML-optimized library design with improved fitness and diversity for protein engineering☆37Nov 5, 2025Updated 4 months ago
- ☆34Oct 5, 2020Updated 5 years ago
- MaxEnt code for fitting simulation outcomes/statistical models to observations☆16Jun 28, 2022Updated 3 years ago
- Cython bindings and Python interface to trimAl, a tool for automated alignment trimming. Now with SIMD!☆27Mar 7, 2026Updated 3 weeks ago
- Official repository of EnzymeFlow☆100Dec 7, 2024Updated last year
- ☆28Dec 13, 2023Updated 2 years ago