Uni-Dock: a GPU-accelerated molecular docking program

A collection of various deep learning architectures, models, and tips

DeePred-BBB is a deep Neural network-based model for prediction of blood brain barrier permeability of compounds using Simplified Molecular Input Line Entry System (SMILES) notation of Compounds.

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单细胞分析的中文pipeline

Cross Modality Optimal Transport for multimodal inference

Imputation method for scRNA-seq based on low-rank approximation

R implementation of GeneTrajectory

Mapping out the coarse-grained connectivity structures of complex manifolds.

A new approach for representing biological sequences

Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures

High-Dimensional Gene Expression and Morphology Profiles of Cells across 28,000 Genetic and Chemical Perturbations

🍀 Pytorch implementation of various Attention Mechanisms, MLP, Re-parameter, Convolution, which is helpful to further understand papers.⭐⭐⭐

PArallel Distributed Deep LEarning: Machine Learning Framework from Industrial Practice （『飞桨』核心框架，深度学习&机器学习高性能单机、分布式训练和跨平台部署）

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

Updated implementation of the GSEA-P R application for modern R distributions

Bayesian Deep Learning: A Survey

🧑‍🏫 60+ Implementations/tutorials of deep learning papers with side-by-side notes 📝; including transformers (original, xl, switch, feedback, vit, ...), optimizers (adam, adabelief, sophia, ...), ga…

iFeatureOmega is a comprehensive platform for generating, analyzing and visualizing more than 170 representations for biological sequences, 3D structures and ligands. To the best of our knowledge, …

iFeatureOmega is a comprehensive platform for generating, analyzing and visualizing more than 170 representations for biological sequences, 3D structures and ligands. To the best of our knowledge, …

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Cell clustering for spatial transcriptomics data with graph neural network

Multi-task and masked language model-based protein sequence embedding models.

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

A package to perform Random Walk with Restart on different types of networks

Python 2.7 package with examples for evaluating a network's ability to group a given node set in network proximity.