RXN for biochemical reactions
☆74Oct 18, 2022Updated 3 years ago
Alternatives and similar repositories for biocatalysis-model
Users that are interested in biocatalysis-model are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Reaction SMILES-AA mapping via language modelling☆29Sep 11, 2024Updated last year
- Python package to atom map, correct and suggest enzymatic reactions☆43Apr 11, 2024Updated last year
- CARE: a Benchmark Suite for the Classification and Retrieval of Enzymes☆43Jun 17, 2025Updated 9 months ago
- Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…☆48Nov 4, 2025Updated 4 months ago
- Reaction-Conditioned Virtual Screening of Enzymes☆42Jun 11, 2025Updated 9 months ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Reinforcement Learning based bioretrosynthesis tool☆56Apr 2, 2025Updated 11 months ago
- Action sequence prediction for arbitrary chemical equations☆26Mar 29, 2021Updated 5 years ago
- Biosynthesis Navigator for Natural Products☆54Jul 4, 2022Updated 3 years ago
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆14Jan 17, 2022Updated 4 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆81Jun 1, 2025Updated 9 months ago
- ☆20Mar 31, 2021Updated 4 years ago
- ☆31Nov 15, 2022Updated 3 years ago
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆49Nov 4, 2025Updated 4 months ago
- Code for Single-step Retrosynthesis model Retroprime☆40Apr 27, 2021Updated 4 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.
- Entropy from PDB conformational ensembles☆13Mar 28, 2024Updated 2 years ago
- Base image providing dependencies for ASKCOS Docker images☆12Jun 14, 2024Updated last year
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆32Updated this week
- ☆17Jun 15, 2022Updated 3 years ago
- Energy-based modeling of chemical reactions☆35Dec 15, 2022Updated 3 years ago
- Official repository of ReactZyme☆40Oct 12, 2024Updated last year
- 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
- Code for the paper "Enzyme Promiscuity Prediction using hierarchy-informed multi-label classification"☆13Aug 7, 2023Updated 2 years ago
- ☆24Aug 24, 2023Updated 2 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- This repository contains the positive-unlabeled learning-based enzyme promiscuity prediction model as described in the paper Deep learnin…☆17Feb 16, 2025Updated last year
- ☆19Jul 18, 2024Updated last year
- ☆66Apr 8, 2025Updated 11 months ago
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆184Sep 18, 2023Updated 2 years ago
- Reinforcement Learning Generation-Evaluator Architecture for Neural Question Generation☆20Aug 23, 2021Updated 4 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Jul 18, 2024Updated last year
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆12May 25, 2020Updated 5 years ago
- ☆79May 21, 2024Updated last year
- ☆78Sep 12, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Message Passing Neural Networks for Molecule Property Prediction☆25May 16, 2020Updated 5 years ago
- PLMFit platform for TL on PLMs☆20Aug 13, 2025Updated 7 months ago
- ☆419Apr 18, 2022Updated 3 years ago
- Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc…☆137Aug 5, 2022Updated 3 years ago
- This is the official code repository for the paper FLOP: Tasks for Fitness Landscapes Of Protein wildtypes by Groth et al.☆22Jun 26, 2023Updated 2 years ago
- RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch☆26Feb 9, 2024Updated 2 years ago
- ☆68Nov 7, 2023Updated 2 years ago