L40S38's repositories
p2rank
P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.
GAT_practice
GAT（Graph Attention Network）モデルの導入
Meeko
Interfacing RDKit and AutoDock
zinc_downloader
Zinc Database Downloader & Merger
DeepPocket
Ligand Binding Site detection using Deep Learning
Pocket2Drug
Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.
Graphsite-classifier
Ligand-binding site classification with deep graph neural networks.
SparseConvNet
Submanifold sparse convolutional networks
Pointnet_Pointnet2_pytorch
PointNet and PointNet++ implemented by pytorch (pure python) and on ModelNet, ShapeNet and S3DIS.
egnn-pytorch
Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch
PointSite
PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms
SIEVE-Score
SIEVE-Score: interaction energy-based virtual screening method based on random forest.
DetectiveConan-Database
名探偵コナン編纂室のページから登場キャラなどのデータを取得する
pdb-tools
A dependency-free cross-platform swiss army knife for PDB files.
coding-interview-university
A complete computer science study plan to become a software engineer.
DeeplyTough
DeeplyTough: Learning Structural Comparison of Protein Binding Sites
hgraph2graph
Hierarchical Generation of Molecular Graphs using Structural Motifs
mol2vec_notebooks
Mol2vec notebooks for use with Binder service
chemical_vae
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
aizynthfinder
A tool for retrosynthetic planning
DevYouTubeList
List of Development YouTube Channels
IFP-RNN
A molecule generative model used interaction fingerprint (docking pose) as constraints.
keras-yolo3
A Keras implementation of YOLOv3 (Tensorflow backend)