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This repository contains implementations and illustrative code to accompany DeepMind publications
Keras documentation, hosted live at keras.io
Repository for benchmarking graph neural networks
Differentiable, Hardware Accelerated, Molecular Dynamics
Template-free prediction of organic reaction outcomes
Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
Deep learning with LSTMs for long-term COVID forecasting in India
Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in slab geometry