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Codebase and CLI for PLAPT: A state-of-the-art protein-ligand binding affinity model for drug discovery
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
Official implementation for the paper: "Code Generation with AlphaCodium: From Prompt Engineering to Flow Engineering""
A curated list of the latest breakthroughs in AI (in 2022) by release date with a clear video explanation, link to a more in-depth article, and code.
Message Passing Neural Networks for Molecule Property Prediction
A powerful and flexible machine learning platform for drug discovery
PyTorch implementation of Soft Actor-Critic (SAC), Twin Delayed DDPG (TD3), Actor-Critic (AC/A2C), Proximal Policy Optimization (PPO), QT-Opt, PointNet..
A curated list of the most impressive AI papers
Therapeutics Commons (TDC-2): Multimodal Foundation for Therapeutic Science
Simple and Efficient Tensorflow implementations of NER models with tf.estimator and tf.data