HassounLab / EPPLinks
Code for the paper "Enzyme Promiscuity Prediction using hierarchy-informed multi-label classification"
☆13Updated 2 years ago
Alternatives and similar repositories for EPP
Users that are interested in EPP are comparing it to the libraries listed below
Sorting:
- Protein Language Model☆118Updated last year
- ☆18Updated last week
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆122Updated last year
- Protein-compound affinity prediction through unified RNN-CNN☆147Updated last year
- a novel DTA predition method using graph neural network☆74Updated 2 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆34Updated 2 years ago
- Machine Learning Designs Non-Hemolytic Antimicrobial Peptides☆35Updated 4 years ago
- ☆67Updated 5 years ago
- Biosynthesis Navigator for Natural Products☆49Updated 3 years ago
- Calculate the RMSD between two protein structures☆12Updated 3 years ago
- semi-supervised learning for molecular property prediction☆51Updated 3 years ago
- CORE: Automatic Molecule Optimization using Copy & Refine Strategy (AAAI 2020)☆17Updated 2 years ago
- PaccMann models for protein language modeling☆42Updated 3 years ago
- Computes a molecular graph for protein structures.☆58Updated 2 weeks ago
- InterpretableDTIP☆20Updated 7 years ago
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆43Updated 6 years ago
- Reaction-Conditioned Virtual Screening of Enzymes☆35Updated 2 months ago
- LM-GVP: A Generalizable Deep Learning Framework for Protein Property Prediction from Sequence and Structure☆58Updated last year
- An official Molecule Transformer Drug Target Interaction (MT-DTI) model☆34Updated 4 years ago
- A SMILES-based encoder-decoder architecture for molecular scaffold decoration☆81Updated 5 years ago
- ☆49Updated 4 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 4 years ago
- Interpreting graph convolutional filters of target prediction network☆48Updated 6 years ago
- Enzyme Activity Prediction of Sequence Variants onNovel Substrates using Improved Substrate Encodings and Convolutional Pooling☆18Updated 2 years ago
- ☆20Updated 3 years ago
- RXN for biochemical reactions☆69Updated 2 years ago
- Code for Fold2Seq paper from ICML 2021☆50Updated 3 years ago
- ☆10Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- The first large protein language model trained follows structure instructions.☆84Updated 2 months ago