Popular GitHub Repositories for Drug Target Affinity

State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

An AI-Powered Speech Processing Toolkit and Open Source SOTA Pretrained Models, Supporting Speech Enhancement, Separation, and Target Speaker Extraction, etc.

Meltano: the declarative code-first data integration engine that powers your wildest data and ML-powered product ideas. Say goodbye to writing, maintaining, and scaling your own API integrations.

Message Passing Neural Networks for Molecule Property Prediction

Baidu's open-source Sentiment Analysis System.

Provide an input CSV and a target field to predict, generate a model + code to run it.

A powerful and flexible machine learning platform for drug discovery

[ICLR 2019] ProxylessNAS: Direct Neural Architecture Search on Target Task and Hardware

We present MocapNET, a real-time method that estimates the 3D human pose directly in the popular Bio Vision Hierarchy (BVH) format, given estimations of the 2D body joints originating from monocular color images. Our contributions include: (a) A novel and compact 2D pose NSRM representation. (b) A human body orientation classifier and an ensemble of orientation-tuned neural networks that regress the 3D human pose by also allowing for the decomposition of the body to an upper and lower kinematic hierarchy. This permits the recovery of the human pose even in the case of significant occlusions. (c) An efficient Inverse Kinematics solver that refines the neural-network-based solution providing 3D human pose estimations that are consistent with the limb sizes of a target person (if known). All the above yield a 33% accuracy improvement on the

List of Molecular and Material design using Generative AI and Deep Learning

Python package for graph neural networks in chemistry and biology

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

:book: 收集NLP领域相关的数据集、论文、开源实现，尤其是情感分析、情绪原因识别、评价对象和评价词抽取方面。

A knowledge graph and a set of tools for drug repurposing

An extension of XGBoost to probabilistic modelling

? Detect , track and extract the optimal face in multi-target faces (exclude side face and select the optimal face).

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein