Pinned Repositories
CrossBind
Official Pytorch implementation of CrossBind: Collaborative Cross-Modal Identification of Protein Nucleic-Acid-Binding Residues.
DeepPocket
Ligand Binding Site detection using Deep Learning
PUResNet
Predicting protein-ligand binding sites using deep convolutional neural network
KinomeMETA
AI-Rex
An integrated framework for chemical reaction feasibility prediction. This is a structured solution for one of the Chemistry Challenges of ai4science hackathon (https://ai4science.io/).
magic-material
An integrated framework for materials property prediction and inverse design. This is a structured solution for one of the Physical Science Challenges of ai4science hackathon (https://ai4science.io/).
PointSite
PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms
GrASP
Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
KinomeMeta
KinomeMETA is a virtual kinase chemogenomics model for predicting kinome-wide polypharmacology effect of small molecules based on their chemical structures. KinomeMETA utilizes a modified meta-learning strategy integrated with a graph neural network (GNN), leveraging a large-scale dataset of kinase inhibitor data for 661 kinases.
1874Mercury's Repositories
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