The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.

Obj-GAN - Official PyTorch Implementation

Python machine learning package providing simple interoperability between ML.NET and scikit-learn components.

Facebook AI Research Sequence-to-Sequence Toolkit written in Python.

Google AI Research

An open source AutoML toolkit for neural architecture search and hyper-parameter tuning.

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

Tensors and Dynamic neural networks in Python with strong GPU acceleration

Python package for graph neural networks in chemistry and biology

Note that current version does not include search of very large metagenome data. For some proteins, metagenome data is important. We will update this as soon as possible.

A powerful and flexible machine learning platform for drug discovery

Fusion models for Atomic and molecular STructures (FAST)

Deep learning framework for data mining protein-protein interactions using CNN

Learning to Rank in PyTorch

Neural Architecture Optimization

OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

ICCV 2019 (oral) RankSRGAN: Generative Adversarial Networks with Ranker for Image Super-Resolution. PyTorch implementation

Soft Contextual Data Augmentation

Pytorch Implementation of Neural Architecture Optimization

MASS: Masked Sequence to Sequence Pre-training for Language Generation

StyleGAN - Official TensorFlow Implementation

A fast, distributed, high performance gradient boosting (GBT, GBDT, GBRT, GBM or MART) framework based on decision tree algorithms, used for ranking, classification and many other machine learning …

Open Drug Discovery Toolkit

iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machines

A Tensorflow implementation of the Deep Listwise Context Model (DLCM) for ranking refinement.

Very Long Natural Scenery Image Prediction by Outpainting, ICCV2019, TensorFlow

Listwise Learning to Rank by Exploring Unique Ratings (ICDM 2020)

Scene Graphs with Permutation-Invariant Structured Prediction