Code for the paper "Enzyme Promiscuity Prediction using hierarchy-informed multi-label classification"
☆13Aug 7, 2023Updated 2 years ago
Alternatives and similar repositories for EPP
Users that are interested in EPP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- code for "Fine-grained Entity Typing via Label Reasoning" EMNLP2021☆13May 27, 2022Updated 3 years ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆34Apr 22, 2026Updated last week
- EnzyDock: Protein–Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes☆18Sep 5, 2024Updated last year
- Metal Activity Heuristic of Metalloprotein and Enzymatic Sites (MAHOMES) - Predicts if a protein bound metal ion is enzymatic or non-enzy…☆11Apr 19, 2022Updated 4 years ago
- A model named ATMOL for predicting molecular property☆10May 2, 2022Updated 3 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.
- Bokeh extensions to plot molecules easily☆10Jul 14, 2025Updated 9 months ago
- MGA☆44Jan 15, 2021Updated 5 years ago
- A python tool for numerically encoding protein sequences based on PSSM profile☆13Jun 25, 2021Updated 4 years ago
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- RXN for biochemical reactions☆76Oct 18, 2022Updated 3 years ago
- Local homology search powered by ESM-2 language model, foldseek, hhsuite, and hmmer.☆18Jan 14, 2025Updated last year
- Official implementation of IJCAI'23 paper "MolHF: A Hierarchical Normalizing Flow for Molecular Graph Generation"☆14Aug 27, 2023Updated 2 years ago
- A tool to compare two CSV files of SMILES strings, find overlapping compounds by InChIKey prefix, and generate an HTML visualization of …☆16Apr 20, 2025Updated last year
- A Knowledge Graph from public databases and scientific literature to extract associations between chemicals and diseases.☆17Jul 9, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- My pytorch implementation of the model described in the paper **Hierarchical Attention Networks for Document Classification** [paper](htt…☆11Mar 22, 2019Updated 7 years ago
- Data and code for replicating the AEPP paper "Machine learning for food security: Principles for transparency and usability"☆12Mar 9, 2021Updated 5 years ago
- Food-Biomarker Ontology defines the relationships between foods and their associated metabolites (biomarkers) through a formal ontology☆17May 3, 2022Updated 3 years ago
- code repo for Set2Gaussian☆17Jun 19, 2020Updated 5 years ago
- Meta learning addresses noisy and under-labeled data in machine learning-guided antibody engineering (https://doi.org/10.1016/j.cels.2023…☆23Aug 8, 2024Updated last year
- A utility framework for the management of genome-scale metabolic models.☆11Mar 28, 2020Updated 6 years ago
- Base image providing dependencies for ASKCOS Docker images☆12Jun 14, 2024Updated last year
- ☆19Jul 18, 2024Updated last year
- A convolutional neural network predicts the toxicity of a drug based on its molecular structure.☆16Mar 27, 2019Updated 7 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- An ambient noise detector☆10Aug 23, 2020Updated 5 years ago
- OMNI-P2x: A universal neural network potential for excited states☆13Mar 19, 2026Updated last month
- The powerful crossword generator for Windows☆16Jan 31, 2026Updated 2 months ago
- ☆20Mar 31, 2021Updated 5 years ago
- a *biosynformatic* fingerprint to explore natural product distance and diversity☆22Aug 30, 2025Updated 7 months ago
- Implementation of reaction condition prediction with Parrot☆21Nov 16, 2023Updated 2 years ago
- MRL-CQA for EMNLP 2020 submission. This work has been accepted by EMNLP 2020.☆19Oct 8, 2020Updated 5 years ago
- Generates consistent PSSM and/or PDB files for protein-protein complexes☆20Jun 26, 2022Updated 3 years ago
- This software package simulates the reduction of graphene oxide and calculates the optical response of the generated sp2 domains☆11Dec 22, 2016Updated 9 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Prediction of metabolites formed by phase I and phase II xenobiotic metabolism.☆16May 25, 2022Updated 3 years ago
- Protein representation and design under a single training scheme☆24Updated this week
- Adaptive string method implementation in AmberTools23 and Amber22☆15Jan 7, 2025Updated last year
- Biosynthesis Navigator for Natural Products☆56Jul 4, 2022Updated 3 years ago
- Design data and process for the AdaptyvBio protein design competition☆11Dec 11, 2024Updated last year
- ☆51Aug 8, 2022Updated 3 years ago
- Quickly find and score consensus between metabolite identifications and gene annotations☆18Nov 10, 2025Updated 5 months ago