Python package to atom map, correct and suggest enzymatic reactions
☆46Apr 11, 2024Updated 2 years ago
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☆76Oct 18, 2022Updated 3 years ago
- CARE: a Benchmark Suite for the Classification and Retrieval of Enzymes☆48Jun 17, 2025Updated last year
- Reaction SMILES-AA mapping via language modelling☆29Sep 11, 2024Updated last year
- Reaction-Conditioned Virtual Screening of Enzymes☆48Jun 13, 2026Updated 2 months ago
- ☆12Jun 11, 2025Updated last year
- 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.
- ☆84Jun 29, 2025Updated last year
- EnzyMM - Enzyme Motif Miner - Geometric matching of catalytic motifs in protein structures.☆43Aug 11, 2026Updated last week
- ☆12Dec 2, 2024Updated last year
- ☆20Jul 18, 2024Updated 2 years ago
- Enzyme datasets used to benchmark enzyme-substrate promiscuity models☆44Jun 28, 2021Updated 5 years ago
- Optimized version of the Reaction Decoder Tool (RDTool)☆17Sep 17, 2020Updated 5 years ago
- RetroPath2.0 to pathways☆18Jan 28, 2026Updated 6 months ago
- ☆17Jun 15, 2022Updated 4 years ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆87Apr 5, 2026Updated 4 months 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.
- Run OpenMM with forces provided by any Python program☆42Dec 25, 2024Updated last year
- ☆23Sep 12, 2024Updated last year
- Repository for Fast Non-autoregressive Inverse Folding with Discrete Diffusion☆19Feb 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
- Machine learning prediction of enzyme optimum pH☆56Apr 29, 2025Updated last year
- Action sequence prediction for arbitrary chemical equations☆27Mar 29, 2021Updated 5 years ago
- A deep learning-based predictor of enzyme optimal pH☆12Jun 25, 2025Updated last year
- Source code of the paper "Protein Sequence and Structure Co-Design with Equivariant Translation"☆24Sep 18, 2023Updated 2 years ago
- Automated Transition States Builder☆11Jun 1, 2023Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆15Jun 8, 2022Updated 4 years ago
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆57Jul 30, 2026Updated 2 weeks ago
- Reinforcement Learning based bioretrosynthesis tool☆60Apr 2, 2025Updated last year
- ☆27Mar 31, 2023Updated 3 years ago
- MaxEnt code for fitting simulation outcomes/statistical models to observations☆18Jun 28, 2022Updated 4 years ago
- A structure-based, alignment-free embedding approach for proteins. Can be used as input to machine learning algorithms.☆41Jun 8, 2023Updated 3 years ago
- ☆36Oct 27, 2025Updated 9 months ago
- A repository containing the build steps for the ccpbiosim workshop on QM/MM☆70Jul 31, 2026Updated 2 weeks ago
- A toolkit for enzyme discovery☆28May 18, 2026Updated 3 months 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.
- Python module for parsing, writing, aligning, and manipulating glycan structrures☆10Aug 6, 2026Updated last week
- Ligand-Receptor docking with AutoDock Vina☆12Mar 21, 2024Updated 2 years ago
- Structure-Informed Protein Language Model☆40Feb 15, 2024Updated 2 years ago
- ☆25Sep 21, 2023Updated 2 years ago
- Adapting protein language models for structure-conditioned design☆42Aug 5, 2024Updated 2 years ago
- ML-optimized library design with improved fitness and diversity for protein engineering☆37Nov 5, 2025Updated 9 months ago
- ☆82Sep 12, 2024Updated last year