GIST-CSBL / HoTSLinks
HoTS: Sequence-based prediction of binding regions and drug-target interactions.
☆28Updated 3 years ago
Alternatives and similar repositories for HoTS
Users that are interested in HoTS are comparing it to the libraries listed below
Sorting:
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆34Updated last year
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆25Updated 3 years ago
- Code for the paper "DLAB - Deep learning methods for structure-basedvirtual screening of antibodies"☆31Updated 3 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28Updated 4 years ago
- A Python 3 version of the protein descriptor package propy☆46Updated 2 years ago
- Python package to atom map, correct and suggest enzymatic reactions☆40Updated last year
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆26Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 7 months ago
- Machine learning models for antibody sequences in PyTorch☆41Updated 4 years ago
- Antibody paratope prediction using Graph Neural Networks with minimal feature vectors☆37Updated 2 years ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆35Updated 2 years ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆29Updated 5 months ago
- PKSmart: Predicting PK properties using Chemical Structures☆18Updated 3 months ago
- Code and data used in https://doi.org/10.1101/2021.08.01.454656☆54Updated 3 years ago
- Scoring methods for predicting the DDG upon protein mutation☆16Updated 2 years ago
- This repository contains code for the paper: "Tertiary motifs as building blocks for the design of protein-binding peptides"☆21Updated last year
- Physical energy function for protein sequence design☆34Updated 2 years ago
- ☆73Updated 5 years ago
- Enzyme datasets used to benchmark enzyme-substrate promiscuity models☆40Updated 4 years ago
- Material to run the HADDOCK antibody-antigen modelling protocol☆23Updated 3 months ago
- Antibody Annotation - Annotate VH and VL sequences (FR and CDR) in Python☆30Updated 2 years ago
- ☆21Updated 3 years ago
- ☆33Updated last year
- Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks☆32Updated last year
- Identifying peptide-receptor interactions using AlphaFold-Multimer☆27Updated 2 years ago
- ☆22Updated last year
- ☆45Updated 9 months ago
- The standalone version / cli-tool of SPOT-Contact-Single available for public use for research purposes.☆16Updated last year
- KA-Search: Rapid and exhaustive sequence identity search of known antibodies☆23Updated last year
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆20Updated 3 months ago