Jianmin Wang's starred repositories
ML-augmented-docking-CYP-inhibition
Code repository for Machine Learning-Augmented Docking. 1. CYP inhibition prediction. Authors: Benjamin Weiser, Jérôme Genzling , Mihai Burai Patrascu, and Nicolas Moitessier
ScaffoldGVAE
ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Molecules
Ligand_Generation
Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
2022-2023-DGM-AIMasters-course
Deep Generative Models course, AIMasters, 2022
2023-DGM-MIPT-course
Deep Generative Models course, 2023
2022-2023-DGM-MIPT-course
Deep Generative Models course, 2022-2023
optimalpdb
This script gets 3D structures by taking UniProt ID(s) as input, figures out the currently available PDB structures that are experimentally validated, and chooses the best structure based on lowest resolution (A value). Then it extracts PDB ID(s) that should be retrieved and stores it in a CSV file.
MultiPPIMI
a deep learning framework for predicting interactions between protein-protein interaction targets and modulators
DeepRank-GNN-esm
Graph Network for protein-protein interface including language model features
Docking-Based-VS
Docking-Based VS
AI-for-Bio
A free and collaborative space for Machine Learning 🤖 applied to Biology 🧬